Joseph Francisco
#60,223
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American chemist
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Joseph Franciscochemistry Degrees
Chemistry
#1087
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#1729
Historical Rank
#439
USA Rank
Physical Chemistry
#206
World Rank
#243
Historical Rank
#67
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Chemistry
Joseph Francisco's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of Texas at Austin
Why Is Joseph Francisco Influential?
(Suggest an Edit or Addition)According to Wikipedia, Joseph S. Francisco is an American scientist and the former president of the American Chemical Society from 2009 to 2010. He currently serves as the President's Distinguished Professor of Earth and Environmental Science and professor of chemistry at the University of Pennsylvania. He was the Dean of the College of Arts and Sciences, and held the Elmer H. and Ruby M. Cordes Chair in chemistry at the University of Nebraska in Lincoln until 2018.
Joseph Francisco's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Chemical kinetics and dynamics (1989) (1027)
- Theoretical studies of atmospheric reaction mechanisms in the troposphere. (2012) (296)
- Water Catalysis of a Radical-Molecule Gas-Phase Reaction (2007) (272)
- Kinetics and mechanisms of aqueous ozone reactions with bromide, sulfite, hydrogen sulfite, iodide, and nitrite ions. (2001) (171)
- Rational Design of Flexible Two-Dimensional MXenes with Multiple Functionalities. (2019) (163)
- Radical-water complexes in Earth's atmosphere. (2000) (150)
- Promising electron mobility and high thermal conductivity in Sc2CT2 (T = F, OH) MXenes. (2016) (137)
- The thermal and electrical properties of the promising semiconductor MXene Hf2CO2 (2015) (135)
- Existence of a Hydroperoxy and Water (HO2‚H2O) Radical Complex (1998) (125)
- A computer model study of multiphase chemistry in the Arctic boundary layer during polar sunrise (2000) (121)
- Intrinsic Structural, Electrical, Thermal, and Mechanical Properties of the Promising Conductor Mo2C MXene (2016) (107)
- HOCO radical chemistry. (2010) (103)
- Sulfuric acid as autocatalyst in the formation of sulfuric acid. (2012) (103)
- Distinct ice patterns on solid surfaces with various wettabilities (2017) (96)
- The trans-HOCO radical: quartic force fields, vibrational frequencies, and spectroscopic constants. (2011) (96)
- Stabilization and strengthening effects of functional groups in two-dimensional titanium carbide (2016) (95)
- Atomic imaging of the edge structure and growth of a two-dimensional hexagonal ice (2020) (93)
- Water effects on atmospheric reactions (2011) (90)
- Quartic force field predictions of the fundamental vibrational frequencies and spectroscopic constants of the cations HOCO+ and DOCO+. (2012) (88)
- An Investigation of the Factors Influencing Student Performance in Physical Chemistry (2001) (87)
- Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes. (2015) (84)
- Impact of water on the OH + HOCl reaction. (2011) (83)
- Integrating Rh Species with NiFe Layered-Double-Hydroxide for Overall Water Splitting. (2019) (83)
- The isomerization of methoxy radical: intramolecular hydrogen atom transfer mediated through acid catalysis. (2011) (81)
- Molecular reactions at aqueous interfaces (2020) (79)
- Atmospheric significance of water clusters and ozone-water complexes. (2013) (78)
- An Investigation of the Value of Using Concept Maps in General Chemistry (2001) (78)
- Experimental Evidence for the Existence of the HO 2 -H 2 O Complex (2000) (77)
- Assessing Student Understanding of General Chemistry with Concept Mapping (2002) (76)
- Lifetimes and global warming potentials for dimethyl ether and for fluorinated ethers: CH3OCF3 (E143a), CHF2OCHF2 (E134), CHF2OCF3 (E125) (1998) (76)
- Effects of a single water molecule on the OH + H2O2 reaction. (2012) (74)
- Effect of Irradiation Sources and Oxygen Concentration on the Photocatalytic Oxidation of 2-Propanol and Acetone Studied by in Situ FTIR (2003) (72)
- Insight into Chemistry on Cloud/Aerosol Water Surfaces. (2018) (72)
- Near-Barrierless Ammonium Bisulfate Formation via a Loop-Structure Promoted Proton-Transfer Mechanism on the Surface of Water. (2016) (71)
- Coupled Cluster Theory Determination of the Heats of Formation of Combustion-Related Compounds: CO, HCO, CO2, HCO2, HOCO, HC(O)OH, and HC(O)OOH (2003) (70)
- In-Situ Observation of the pH Gradient near the Gas Diffusion Electrode of CO2 Reduction in Alkaline Electrolyte. (2020) (70)
- Single Iridium Atom Doped Ni2P Catalyst for Optimal Oxygen Evolution. (2021) (69)
- Radical-molecule complexes: changing our perspective on the molecular mechanisms of radical-molecule reactions and their impact on atmospheric chemistry. (2002) (68)
- Characterizing hydrophobicity of amino acid side chains in a protein environment via measuring contact angle of a water nanodroplet on planar peptide network (2016) (67)
- Gas phase hydrolysis of formaldehyde to form methanediol: impact of formic acid catalysis. (2013) (66)
- Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation. (2018) (66)
- Structure, Anharmonic Vibrational Frequencies, and Intensities of NNHNN(+). (2015) (66)
- A comprehensive theoretical examination of primary dissociation pathways of formic acid (1992) (63)
- Role of Double Hydrogen Atom Transfer Reactions in Atmospheric Chemistry. (2016) (62)
- Fundamental vibrational frequencies and spectroscopic constants of HOCS+, HSCO+, and isotopologues via quartic force fields. (2012) (61)
- Vibrational frequencies and spectroscopic constants from quartic force fields for cis-HOCO: the radical and the anion. (2011) (61)
- The OH radical-H2O molecular interaction potential. (2006) (61)
- An experimental and theoretical study of the reactions OIO+NO and OIO+OH. (2006) (59)
- Complexes of Hydroxyl and Hydroperoxyl Radical with Formaldehyde, Acetaldehyde, and Acetone (2000) (59)
- Multielemental single–atom-thick A layers in nanolaminated V2(Sn, A) C (A = Fe, Co, Ni, Mn) for tailoring magnetic properties (2019) (58)
- Encapsulation kinetics and dynamics of carbon monoxide in clathrate hydrate (2014) (58)
- Water effect on the OH + HCl reaction. (2012) (57)
- The thermochemistry of polyoxides and polyoxy radicals (1988) (56)
- Ultraviolet photodissociation of bromoform at 234 and 267 nm by means of ion velocity imaging (2002) (56)
- Integrating Multiple Teaching Methods into a General Chemistry Classroom (1998) (56)
- New Mechanistic Pathways for Criegee-Water Chemistry at the Air/Water Interface. (2016) (56)
- A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interface (2017) (56)
- Mechanistic study of the gas-phase decomposition of methyl formate. (2003) (56)
- Ion-specific ice recrystallization provides a facile approach for the fabrication of porous materials (2017) (55)
- Hydrolysis of glyoxal in water-restricted environments: formation of organic aerosol precursors through formic acid catalysis. (2014) (53)
- Theoretical Studies of Atmospheric Reaction Mechanisms in the Troposphere (2012) (53)
- Reactivity of atmospherically relevant small radicals at the air-water interface. (2012) (52)
- Rational Design of Highly Stable and Active MXene‐Based Bifunctional ORR/OER Double‐Atom Catalysts (2021) (52)
- The importance of weak absorption features in promoting tropospheric radical production. (2005) (52)
- Reactivity of volatile organic compounds at the surface of a water droplet. (2012) (51)
- Tropospheric Oxidation Mechanism of Dimethyl Ether and Methyl Formate (2000) (50)
- Exploring the OH+CO→H+CO2 potential surface via dissociative photodetachment of (HOCO)− (2002) (50)
- Infrared spectrum and stability of the H2O-HO complex: experiment and theory. (2010) (49)
- Ab initio study of hydrogen migration across n-alkyl radicals. (2011) (46)
- Dimethyl ether oxidation at elevated temperatures (295-600 K). (2005) (46)
- Bond dissociation energies in second-row compounds. (2008) (46)
- Theoretical investigation of chlorofluorocarbon degradation processes: structures and energetics of XC(0)0x intermediates (X = F, Cl) (1990) (46)
- Identifying the molecular origin of global warming. (2004) (45)
- Decomposition Pathways of Peroxynitrous Acid: Gas-Phase and Solution Energetics (2002) (44)
- Radical hydrogen bonding: origin of stability of radical-molecule complexes. (2007) (44)
- Formation of HONO from the NH3-promoted hydrolysis of NO2 dimers in the atmosphere (2018) (44)
- Atmospheric chemistry of alternative fuels and alternative chlorofluorocarbons. (2003) (44)
- Spectroscopic signatures of ozone at the air–water interface and photochemistry implications (2014) (43)
- Heats of formation of the H1,2OmSn (m, n = 0-3) molecules from electronic structure calculations. (2009) (43)
- Uptake of the HO2 radical by water: Molecular dynamics calculations and their implications for atmospheric modeling (2004) (42)
- Existence of a Chlorine Oxide and Water (ClO.cntdot.H2O) Radical Complex (1995) (42)
- Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics. (2004) (42)
- Laboratory evidence for a key intermediate in the Venus atmosphere: peroxychloroformyl radical. (2004) (42)
- Unimolecular dissociation and thermochemistry of CH3OOH. (2005) (41)
- Evidence of low-density and high-density liquid phases and isochore end point for water confined to carbon nanotube (2017) (41)
- Unraveling the mechanism of selective ion transport in hydrophobic subnanometer channels (2015) (41)
- Heats of Formation of CBr, CHBr, and CBr2 from Ab Initio Quantum Chemistry (2002) (40)
- An examination of substituent effects on the reaction of OH radicals with HXCO (where X=H, F, and Cl) (1992) (40)
- Open-shell pair interaction energy decomposition analysis (PIEDA): formulation and application to the hydrogen abstraction in tripeptides. (2013) (40)
- Atmospheric oxidation pathways of acetic acid. (2006) (40)
- General-acid-catalyzed reactions of hypochlorous acid and acetyl hypochlorite with chlorite ion. (2000) (40)
- Making Sure That Hydrofluorocarbons Are “Ozone Friendly” (1996) (39)
- Nitric Acid-Amine Chemistry in the Gas Phase and at the Air-Water Interface. (2018) (39)
- Computationally Efficient Methodology to Calculate C−H and C−X (X = F, Cl, and Br) Bond Dissociation Energies in Haloalkanes (2000) (39)
- Communication: Spectroscopic consequences of proton delocalization in OCHCO⁺. (2015) (39)
- STRUCTURES, RELATIVE STABILITIES, AND SPECTRA OF ISOMERS OF HCLO2 (1994) (38)
- Dissociation dynamics of low‐lying electronic states of SiH2 (1988) (38)
- Hydrolysis of ketene catalyzed by formic acid: modification of reaction mechanism, energetics, and kinetics with organic acid catalysis. (2015) (38)
- Designing flexible 2D transition metal carbides with strain-controllable lithium storage (2017) (38)
- Reaction of Criegee Intermediate with Nitric Acid at the Air-Water Interface. (2018) (37)
- Interaction of the NH2 Radical with the Surface of a Water Droplet. (2015) (37)
- The gas-phase decomposition of CF(3)OH with water: a radical-catalyzed mechanism. (2009) (36)
- Cavity Ringdown Spectroscopy of cis-cis HOONO and the HOONO/HONO2 Branching Ratio in the Reaction OH + NO2 + M (2003) (36)
- Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process. (2019) (36)
- Unimolecular Decomposition Pathways of Dimethyl Ether: An ab Initio Study (1998) (36)
- Computational study on the existence of organic peroxy radical-water complexes (RO2.H2O). (2008) (36)
- Dissociation Pathways of Peroxyacetyl Nitrate (PAN) (1999) (36)
- Kinetics and Mechanism of the Acetylperoxy + HO2 Reaction (1999) (36)
- Structure and Energetics of Hydrogen Bonded HOx−HNO3 Complexes (1999) (36)
- Pressure Dependence and Metastable State Formation in the Photolysis of Dichlorine Monoxide (Cl2O) (1996) (35)
- Stability of the cubic water octamer (2003) (35)
- Direct ab initio dynamics study of the OH + HOCO reaction. (2005) (35)
- A spectroscopic case for SPSi detection: The third-row in a single molecule. (2016) (35)
- Interaction of SO2 with the Surface of a Water Nanodroplet. (2017) (35)
- Surprising Stability of Larger Criegee Intermediates on Aqueous Interfaces. (2017) (35)
- Photochemistry of oxidized Hg(I) and Hg(II) species suggests missing mercury oxidation in the troposphere (2020) (35)
- An ab initio study of the low-lying electronic states of S3. (2006) (34)
- New pathways for chlorine dioxide decomposition in basic solution. (2002) (34)
- Structural and spectral consequences of ion pairing. 4. Theoretical study of alkali metal tetrafluoroborates (M+BF4-; M = lithium, sodium, potassium, and rubidium) (1990) (34)
- Thermodynamic properties of the XO(2), X(2)O, XYO, X(2)O(2), and XYO(2) (X, Y = Cl, Br, and I) isomers. (2010) (34)
- Spontaneous formation of one-dimensional hydrogen gas hydrate in carbon nanotubes. (2014) (34)
- Gas-Phase Generation and Decomposition of a Sulfinylnitrene into the Iminyl Radical OSN. (2016) (33)
- The formation of a surprisingly stable HO2-H2SO4 complex (2001) (33)
- TiO2 Photocatalytic Degradation of Dichloromethane: An FTIR and Solid-State NMR Study (2004) (33)
- Atmospheric Chemical Kinetics of FC(O)O (1994) (33)
- Ab Initio Study of the Electronic Spectrum of HOBr (1996) (33)
- Infrared photochemistry of alkyl- and arylsilanes (1984) (33)
- A gas-to-particle conversion mechanism helps to explain atmospheric particle formation through clustering of iodine oxides (2020) (32)
- FCO: UV spectrum, self-reaction kinetics and chain reaction with F2 (1992) (32)
- Ab initio study of hydrogen migration in 1-alkylperoxy radicals. (2010) (32)
- Dimethylamine Addition to Formaldehyde Catalyzed by a Single Water Molecule: A Facile Route for Atmospheric Carbinolamine Formation and Potential Promoter of Aerosol Growth. (2016) (32)
- Unraveling nucleation pathway in methane clathrate formation (2020) (32)
- A DENSITY FUNCTIONAL STUDY OF THE STRUCTURE, VIBRATIONAL SPECTRA, AND RELATIVE ENERGETICS OF XBRO2 ISOMERS (WHERE X = H, CL, AND BR) (1997) (31)
- Controllable magnitude and anisotropy of the electrical conductivity of Hf3C2O2 MXene (2017) (31)
- Water desalination through rim functionalized carbon nanotubes (2019) (31)
- High-level ab initio studies of the structure, vibrational spectra, and energetics of S3. (2005) (31)
- Keeping Mars warm with new super greenhouse gases (2001) (30)
- High level ab initio studies on the excited states of HOCO radical (2000) (30)
- On the interactions between atmospheric radicals and cloud droplets: A molecular picture of the interface (2003) (30)
- Ab initio studies of dissociation pathways on the ground state potential energy surface for HFCO and HClCO (1992) (30)
- Ground and electronically excited states of methyl hydroperoxide: comparison with hydrogen peroxide. (2006) (30)
- Carboxylic acid catalyzed hydration of acetaldehyde. (2015) (30)
- Complexes of Hydroperoxyl Radical with Glyoxal, Methylglyoxal, Methylvinyl Ketone, Acrolein, and Methacrolein: Possible New Sinks for HO2 in the Atmosphere? (2003) (29)
- Molecular Structure, Vibrational Frequencies, and Energetics of the HCO, HOCO, and HCO2 Anions (2003) (29)
- Complete active space self-consistent field and multireference configuration interaction studies of the differences between the low-lying excited states of HO2 and HO2–H2O (1999) (29)
- Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5. (2005) (29)
- Reactivity trends within alkoxy radical reactions responsible for chain branching. (2011) (29)
- Dissociation dynamics of FCO and HCO radicals (1988) (29)
- Crystal structure and encapsulation dynamics of ice II-structured neon hydrate (2014) (29)
- Simplest N-Sulfonylamine HNSO2. (2016) (28)
- Atmospheric Oxidation of Fluorinated Ethers, E143a (CF3OCH3), E134 (CHF2OCHF2), and E125 (CHF2OCF3) (1999) (28)
- Experimental and ab initio study of the HO2.CH3OH complex: thermodynamics and kinetics of formation. (2006) (28)
- The Impact of Continuous Instructional Development on Graduate and Undergraduate Students. (1999) (28)
- Photochemistry of SO2 at the Air-Water Interface: A Source of OH and HOSO Radicals. (2018) (28)
- Photofragmentation of Acetyl Cyanide at 193 nm (1997) (27)
- Elemental sulfur aerosol-forming mechanism (2017) (27)
- Temperature Dependence of the HO(sub 2) + CIO Reaction. 1. Reaction Kinetics by Pulsed Photolysis-Ultraviolet Absorption and ab initio Studies of the Potential Surface (2000) (27)
- A Computational Study of the Reaction of Methyl Formate with ·H and ·CH3 Radicals (2002) (27)
- The binding energy and bonding in dialane. (2005) (27)
- A New Mechanism of Acid Rain Generation from HOSO at the Air-Water Interface. (2019) (27)
- Photodissociation mechanisms of major Hg(II) species in the atmospheric chemical cycle of mercury. (2019) (27)
- Parent Thioketene S-Oxide H2 CCSO: Gas-Phase Generation, Structure, and Bonding Analysis. (2017) (27)
- Three-dimensional model evaluation of the Ozone Depletion Potentials for n-propyl bromide, trichloroethylene and perchloroethylene (2010) (27)
- Visible absorption spectroscopy of the B 2A1–X 2B2 transition of fluoroformyloxyl radical, FC(O)O (1993) (27)
- Global analysis of peroxy radicals and peroxy radical-water complexation using the STOCHEM-CRI global chemistry and transport model (2015) (27)
- Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations. (2008) (27)
- Temperature dependent kinetics of the formation and self‐reactions of FC(O)O2 and FC(O)O radicals (1993) (26)
- Accurate ab initio study of the energetics of phosphorus nitride: Heat of formation, ionization potential, and electron affinity (2003) (26)
- Dipole surface and infrared intensities for the cis- and trans-HOCO and DOCO radicals. (2013) (26)
- Temperature-Dependent Rate Coefficients for the Reaction of CH2OO with Hydrogen Sulfide. (2017) (26)
- Controlling states of water droplets on nanostructured surfaces by design. (2017) (26)
- Unraveling a New Chemical Mechanism of Missing Sulfate Formation in Aerosol Haze : Gaseous NO2 with aqueous HSO3-/SO32. (2019) (26)
- Mechanistic Quantification of Thermodynamic Stability and Mechanical Strength for Two-Dimensional Transition-Metal Carbides (2018) (26)
- Hydrogen bonding and orientation effects on the accommodation of methylamine at the air-water interface. (2016) (26)
- BOND DISSOCIATION ENERGIES AND HEATS OF FORMATION FOR FLUORINATED ETHERS :E143A (CH3OCF3), E134 (CHF2OCHF2), AND E125 (CF3OCHF2) (1998) (25)
- Atmospheric oxidation pathways of propane and its by‐products: Acetone, acetaldehyde, and propionaldehyde (2007) (25)
- A Computational Study Investigating the Energetics and Kinetics of the HNCO + (CH3)2NH Reaction Catalyzed by a Single Water Molecule. (2017) (25)
- Ab initio calculation of the heats of formation of CF3OH and CF2O (1994) (25)
- The OBrO C(2A2)←X(2B1) absorption spectrum (1997) (25)
- A theoretical study of the spectroscopic properties of the ground and first excited electronic state of HS2 (2008) (25)
- Primary steps in the reaction of OH radicals with peptide systems: perspective from a study of model amides. (2010) (25)
- Surface Electrochemical Stability and Strain‐Tunable Lithium Storage of Highly Flexible 2D Transition Metal Carbides (2018) (24)
- Structure and Vibrational Spectra of Chlorofluorocarbon Substitutes: An Experimental and ab Initio Study of Fluorinated Ethers CHF2OCF3 (E125), CHF2OCHF2 (E134), and CH3OCF3 (E143A) (1998) (24)
- Kinetics and Reaction Mechanism of Hydroxyl Radical Reaction with Methyl Formate (1999) (24)
- Atmospheric oxidation mechanism of hydroxymethyl hydroperoxide. (2009) (24)
- Reaction pathways for gas-phase hydrolysis of formyl compounds HXCO (X = H, F, and Cl) (1993) (24)
- New insight into the helium-induced damage in MAX phase Ti3AlC2 by first-principles studies. (2015) (24)
- Laser-induced fluorescence spectroscopic study of the Ã2A1X̃ 2E transition of trifluoromethoxy radical (1991) (24)
- Unexpected quenching effect on new particle formation from the atmospheric reaction of methanol with SO3 (2019) (24)
- Water Complexation as a Means of Stabilizing the Metastable HO3 Radical (1999) (24)
- Dissociation dynamics of perhaloalkoxy radicals (1989) (24)
- Red-Light-Induced Decomposition of an Organic Peroxy Radical: A New Source of the HO2 Radical. (2015) (23)
- Mechanistic Insight into the Reaction of Organic Acids with SO3 at the Air-Water Interface. (2019) (23)
- Determination of the heats of formation of CCCN and HCCCN (1994) (23)
- Investigation of the atmospheric oxidation pathways of bromoform and dibromomethane: Initiation via UV photolysis and hydrogen abstraction (2004) (23)
- On the Detectability of the HSS, HSO, and HOS Radicals in the Interstellar Medium (2017) (23)
- Molecular structure, vibrational frequencies, and energetics of the HOCO+ ion (1997) (23)
- Theoretical characterization of the trifluoromethoxy radical (1984) (22)
- On the role of the simplest S-nitrosothiol, HSNO, in atmospheric and biological processes. (2013) (22)
- Does chlorine peroxide absorb below 250 nm? (2004) (22)
- An ab initio study of the competing reaction channels in the reaction of HOCO radicals with NO and O2. (2004) (22)
- The atmospheric oxidation of CH3OOH by the OH radical: the effect of water vapor. (2017) (22)
- An ab initio study of OCCN and OCCN (1997) (22)
- On the competition between hydrogen abstraction versus C-O bond fission in initiating dimethyl ether combustion (1999) (22)
- Direct observation of 2-dimensional ices on different surfaces near room temperature without confinement (2019) (22)
- Thermodynamic properties of the isomers of [HNOS], [HNO2 S], and [HNOS2 ] and the role of the central sulfur. (2014) (22)
- Ab Initio Study of the Structure, Binding Energy, and Vibrations of the HOCl-H2O Complex (1995) (21)
- An ab initio study of the pathways for the reaction between CH3O2 and BrO radicals (2003) (21)
- An ab initio investigation of the significance of the HOOF intermediate in coupling reactions involving FOOx and HOx species (1993) (21)
- Interaction between OH radical and the water interface. (2008) (21)
- Experimental observation of the 16-electron molecules SPN, SNP, and cyclic PSN. (2012) (21)
- A molecular perspective for global modeling of upper atmospheric NH3 from freezing clouds (2018) (21)
- Educating For Sustainability (2010) (21)
- Heat of formation of CH3OCH2 radical (1997) (21)
- Thermal decomposition of peroxy acetyl nitrate CH3C(O)OONO2. (2004) (21)
- Ab initio studies of the structure and thermochemistry of FO radicals (1990) (21)
- Energetics and kinetics of the reaction of HOCO with hydrogen atoms. (2008) (21)
- A theoretical study of the force field for carbon trioxide (1985) (21)
- High level ab initio molecular orbital theory study of the structure, vibrational spectrum, stability, and low-lying excited states of HOONO (2000) (21)
- New Radical−Molecule Association Compounds (2000) (21)
- The Role of Catalysis in Alkanediol Decomposition: Implications for General Detection of Alkanediols and Their Formation in the Atmosphere. (2015) (21)
- A CASSCF–MRCI study on the low-lying excited states of CH3OCl (1999) (20)
- Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO. (2008) (20)
- Single-Molecule Catalysis Revealed: Elucidating the Mechanistic Framework for the Formation and Growth of Atmospheric Iodine Oxide Aerosols in Gas-Phase and Aqueous Surface Environments. (2018) (20)
- Design strategies to minimize the radiative efficiency of global warming molecules (2010) (20)
- The Stability of α-Hydroperoxyalkyl Radicals. (2016) (20)
- A theoretical study of the structure and vibrational spectrum of trifluoromethoxide anion (1984) (20)
- Identifying Cytosine-Specific Isomers via High-Accuracy Single Photon Ionization. (2016) (20)
- Dissociation dynamics of FC(O)O and ClC(O)O radicals (1988) (20)
- Energetics and molecular dynamics of the reaction of HOCO with HO(2) radicals. (2008) (20)
- The reaction of atomic fluorine with formyl fluoride: An experimental and theoretical study (1990) (20)
- Quantum force molecular dynamics study of the reaction of O atoms with HOCO. (2007) (19)
- Mechanistic Insights into Fast Charging and Discharging of the Sodium Metal Battery Anode: A Comparison with Lithium. (2021) (19)
- Water transport through subnanopores in the ultimate size limit: Mechanism from molecular dynamics (2018) (19)
- Theoretical studies of the structure and thermochemistry of FO2 radical: Comparison of Mo/ller–Plesset perturbation, complete‐active‐space self‐consistent‐field, and quadratic configuration interaction methods (1992) (19)
- Dissociation pathways of carbonyl halides (1989) (19)
- Ab initio study of key branching reactions in biodiesel and Fischer-Tropsch fuels. (2011) (19)
- Should bromoform absorb at wavelengths longer than 300 nm (2002) (19)
- A theoretical investigation of the primary dissociation paths of ethynylsilane (1989) (19)
- Theoretical spectroscopic investigations of HNS(q) and HSN(q) (q = 0, +1, -1) in the gas phase. (2014) (19)
- Two-dimensional semiconducting Lu2CT2 (T = F, OH) MXene with low work function and high carrier mobility. (2020) (19)
- The origin of sticking between a hydroperoxy radical and a water surface. (2004) (19)
- Interfaces Select Specific Stereochemical Conformations: The Isomerization of Glyoxal at the Liquid Water Interface. (2017) (19)
- ClClO2 is the most stable isomer of Cl2O2. Accurate coupled cluster energetics and electronic spectra of Cl2O2 isomers. (2008) (19)
- Protonated nitrous acid (H2ONO+): Molecular structure, vibrational frequencies, and proton affinity (2001) (19)
- Electronic structures and mechanical properties of Al(111)/ZrB2(0001) heterojunctions from first-principles calculation (2015) (18)
- Mg@C60 nano-lamellae and its 12.50 wt% hydrogen storage capacity (2019) (18)
- Molecular tuning of the closed shell C-H···F-C hydrogen bond. (2013) (18)
- An examination of primary and secondary dissociation pathways of trifluoromethanol: Identification of plausible routes leading to the formation of hydrogen fluoride (1991) (18)
- Atmospheric Spectroscopy and Photochemistry at Environmental Water Interfaces. (2019) (18)
- Thermochemical properties of HxNO molecules and ions from ab initio electronic structure theory. (2006) (18)
- Bipolar magnetic semiconductors among intermediate states during the conversion from Sc2C(OH)2 to Sc2CO2 MXene. (2018) (18)
- Heteroatom Tuning of Bimolecular Criegee Reactions and Its Implications. (2016) (18)
- Photoinduced oxidation reactions at the air-water interface. (2020) (18)
- Theoretical Study of the Thermal Decomposition Pathways of 2-H Heptafluoropropane (2002) (18)
- The vibrational spectrum of FC(O)O radical: A challenging case for single-reference electron correlation methods (1995) (18)
- A Density Functional Study of the H2O−HOCO Complex (2000) (18)
- Capture of the Sulfur Monoxide-Hydroxyl Radical Complex (•OH···OS). (2020) (18)
- Formation of CO2 Hydrates within Single-Walled Carbon Nanotubes at Ambient Pressure: CO2 Capture and Selective Separation of a CO2/H2 Mixture in Water (2018) (18)
- Competition of charge- versus radical-directed fragmentation of gas-phase protonated cysteine sulfinyl radicals. (2013) (18)
- Wavelength-Dependent Photolysis ofn-Butyraldehyde andi-Butyraldehyde in the 280−330-nm Region (2002) (18)
- The gas and solution phase acidities of HNO, HOONO, HONO, and HONO2 (2003) (18)
- Effects of Different Surface Functionalization and Doping on the Electronic Transport Properties of M2CTx–M2CO2 Heterojunction Devices (2018) (17)
- The photochemistry of acetone in the presence of water (2000) (17)
- HOSO2−H2O Radical Complex and Its Possible Effects on the Production of Sulfuric Acid in the Atmosphere (2003) (17)
- Reaction of OH radicals with CH3C(O)H and CF3C(O)H (1992) (17)
- Structural and spectral consequences of ion pairing II. a theoretical study of CIO−3Li+ and ClO−3Na+ (1987) (17)
- Quartic force field-derived vibrational frequencies and spectroscopic constants for the isomeric pair SNO and OSN and isotopologues. (2015) (17)
- Complete active space self-consistent field and multireference configuration interaction studies of the low-lying excited states of the ClO–H2O radical complex (2001) (17)
- Direct observation of silicon (3P) following state‐selected photofragmentation of à 1B1 silylene (1991) (17)
- AB INITIO CHARACTERIZATION OF HOCLO3 AND HO4CL : IMPLICATIONS FOR ATMOSPHERIC CHEMISTRY (1995) (17)
- Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO. (2005) (17)
- Excited states of OH-(H₂O)n clusters for n = 1-4: an ab initio study. (2014) (17)
- Ion pair particles at the air–water interface (2017) (17)
- Tuning the Stereoselectivity and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: Isomerization of Glyoxal in Different Solvent Environments. (2018) (17)
- Relative vibrational overtone intensity of cis-cis and trans-perp peroxynitrous acid. (2004) (17)
- Study of electronic structure and dynamics of interacting free radicals influenced by water. (2009) (17)
- Photodissociation dynamics of ethylsilane: Ab initio and RRKM study (1988) (17)
- ON THE MECHANISM OF THE BRO + CH2O REACTION (1999) (16)
- Structures of low-lying electronic states of the fluoroformyloxyl radical (1989) (16)
- Structure and thermochemistry of hydrochlorous acid, HOCl (1993) (16)
- Structure and thermochemistry of ClO2 radicals (1993) (16)
- Structural and spectral consequences of ion pairing. III. A theoretical study of NO3−Li+ and NO3−Na+ (1988) (16)
- Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram (2019) (16)
- Coupled-cluster study of the electronic structure and energetics of tetrasulfur, S4. (2007) (16)
- Reconciling the Debate on the Existence of Pentazole HN5 in the Pentazolate Salt of (N5)6(H3O)3(NH4)4Cl. (2019) (16)
- One photon dissociation and multiphoton dissociative ionization of bromochlorodifluoromethane (CF2BrCl) at 267 nm region (2003) (16)
- Overtone-Induced Reactions on the HO2NO2 Potential Surface (2002) (16)
- Structural and spectroscopic study of the van der Waals complex of CO with HCO+ and the isoelectronic complex of CS with HCS+. (2012) (16)
- THE LAST CHAPTER ON CHLOROFLUOROCARBON PHOTOOXIDATION PROCESSES : FORMATION AND DISSOCIATION OF FC(O)ONO (1994) (16)
- Interaction of ClO radical with liquid water. (2009) (16)
- Theoretical investigation of product channels in the CH3O2 + Br reaction. (2006) (16)
- The relaxation of HCN(101) by V-T,R and V-V energy transfer (1984) (16)
- Ab initio investigation of the decomposition of trifluoromethanol into carbonyl fluoride and hydrogen fluoride (1994) (16)
- Global warming potential assessment for CF3OCF = CF2 (2000) (16)
- Is AlOH the Astrochemical Reservoir Molecule of AlO?: Insights from Excited Electronic States (2018) (15)
- The SF5Ox radicals, x=0-3. (2004) (15)
- An examination of pathways for the reaction of oxygen atoms with CF3O radicals. Implications for the role of CF3 radicals in stratospheric chemical processes (1993) (15)
- Investigation of the Atmospheric Oxidation Pathways of Bromoform: Initiation via OH/Cl Reactions (2002) (15)
- Turning a Superhydrophilic Surface Weakly Hydrophilic: Topological Wetting States. (2020) (15)
- Ab initio structural and spectroscopic study of HPS(x) and HSP(x) (x = 0,+1,-1) in the gas phase. (2013) (15)
- Hydration, Solvation and Isomerization of Methylglyoxal at the Air/Water Interface: New Mechanistic Pathways. (2020) (15)
- Probing OH stretching overtones of CH3OOH through action spectroscopy: Influence of dipole moment dependence on HOOC torsion. (2008) (15)
- Spectroscopic identification and stability of the intermediate in the OH + HONO2 reaction (2008) (15)
- Selectivity in ROS-induced peptide backbone bond cleavage. (2014) (15)
- The structure and dissociation energetics of low-lying states of the chloroformyl radical, ClCO (1988) (15)
- Theoretical characterization of formylperoxy and (haloformyl)peroxy radicals (1988) (15)
- CASSCF and MRCI studies of the electronic excited states of CH2Cl and CH2Br (2001) (15)
- Hydrogen migrations in alkylcycloalkyl radicals: implications for chain-branching reactions in fuels. (2012) (15)
- Structures, Vibrational Spectra, and Relative Energetics of HBrO3 Isomers (1998) (14)
- The structure and heat of formation of the CH3OCH2O radical (1998) (14)
- High level ab initio molecular orbital study of the structures and vibrational spectra of CHBr+ and CBr+ (1998) (14)
- First-Principles Molecular Dynamics Simulations of the Spontaneous Freezing Transition of 2D Water in a Nanoslit. (2021) (14)
- Mechanistic study of the photoexcitation, photoconversion, and photodissociation of CS2. (2018) (14)
- Structures and heats of formation of the neutral and ionic PNO, NOP, and NPO systems from electronic structure calculations. (2008) (14)
- CF3CO dissociation kinetics (1995) (14)
- Hydrogen Sulfide as a Scavenger of Sulfur Atomic Cation. (2018) (14)
- Oxygenate-Induced Tuning of Aldehyde-Amine Reactivity and Its Atmospheric Implications. (2017) (14)
- A computational study of the reaction of the FO radical with H2 (1994) (14)
- An Experimental and Computational Study of the Kinetics and Mechanism of the Reaction of Methyl Formate with Cl Atoms (2000) (14)
- A Remarkable, Stable Radical–Molecule Complex: HO2⋅CF3C(O)OH (2000) (14)
- An ab initio molecular orbital study of the mechanism for the gas-phase water-mediated decomposition and the formation of hydrates of peroxyacetyl nitrate (PAN). (2005) (13)
- How We Can Rebuild Trust in Science-And Why We Must. (2018) (13)
- Phase behaviors of deeply supercooled bilayer water unseen in bulk water (2018) (13)
- Molecular structure and energetics of sym-ClO3 (1997) (13)
- Organic Acid Formation from the Atmospheric Oxidation of Gem Diols: Reaction Mechanism, Energetics, and Rates. (2018) (13)
- Spectroscopic investigation of [Al,N,C,O] refractory molecules. (2019) (13)
- Ab Initio Characterization of the Structure, Vibrational, and Energetic Properties of Br-·HOCl, Cl-·HOBr, and Br-·HOBr Anionic Complexes (2001) (13)
- CO Separation from H2 via Hydrate Formation in Single-Walled Carbon Nanotubes. (2016) (13)
- Adiabatic electron affinity and ionization potential for BrO radical (1998) (13)
- Energetics, structure, and rovibrational spectroscopic properties of the sulfurous anions SNO(-) and OSN(.). (2015) (13)
- Role of Proton Tunneling and Metal-Free Organocatalysis in the Decomposition of Methanediol: A Theoretical Study. (2017) (13)
- Reactions of Cl atoms with dimethyl sulfide: A theoretical calculation and an experimental study with cavity ring-down spectroscopy (2004) (13)
- Elucidating the molecular mechanisms of Criegee-amine chemistry in the gas phase and aqueous surface environments (2019) (13)
- An examination of the heats of formation for formyl and fluoroformyl radicals calculated by ab initio molecular orbital methods (1990) (13)
- Electronic states, conical intersections, and spin-rovibronic spectroscopy of the nitrogen oxide sulfide radical. (2013) (13)
- AN AB INITIO STUDY OF THE STRUCTURES AND ENERGETICS OF CH3OCL AND CH3CLO (1999) (13)
- Evaluating the accuracy of density functional methods for ClOO (1996) (12)
- A complete active space self-consistent field multireference configuration interaction study of the low-lying excited states of BrO (2000) (12)
- Ab initio and RRKM study of the reaction of ClO with HOCO radicals. (2009) (12)
- Rapid sulfuric acid–dimethylamine nucleation enhanced by nitric acid in polluted regions (2021) (12)
- Formation of bilayer clathrate hydrates (2015) (12)
- Many-body decomposition of the binding energies for OH.(H2O)2 and OH.(H2O)3 complexes. (2008) (12)
- Convolution and deconvolution of focused beam data in multiphoton decomposition experiments (1981) (12)
- Computational study of the linear proton bound ion-molecule complexes of HCNH+ with HCN and HNC. (2013) (12)
- Rate constant for the reactions of CF3OCHFCF3 with OH and Cl (2000) (12)
- An examination of the reaction pathways for the recombination of FCO radicals (1992) (12)
- Vibrational memory in quantum localized states (2016) (12)
- A mass spectrometric approach for probing the stability of bioorganic radicals. (2014) (12)
- Theoretical characterization of low-lying electronic states of FCO (1992) (12)
- Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis (2019) (12)
- Graph theory for fused cubic clusters of water dodecamer. (2005) (12)
- Phenylsulfinyl Radical: Gas-Phase Generation, Photoisomerization, and Oxidation. (2018) (12)
- The Molecular Structures and Energetics of Cl2CO, ClCO, Br2CO, and BrCO (2000) (12)
- A density functional study of H2O–OClO, (H2O)2–OClO and H2O–ClOO complexes (2000) (12)
- A re-examination of the heat of formation of HO2 using ab initio molecular orbital theory (1991) (12)
- Quantum Chemical Rovibrational Analysis of the HOSO Radical. (2017) (12)
- Accurate theoretical study of PS(q) (q = 0,+1,-1) in the gas phase. (2012) (12)
- An examination of the heats of formation for CH3CO and CF3CO radicals (1991) (12)
- A Singlet Thiophosphoryl Nitrene and Its Interconversion with Thiazyl and Thionitroso Isomers. (2015) (12)
- Generation and release of OH radicals from the reaction of H2O with O2 over soot. (2022) (12)
- Decomposition pathways for trifluoroacetic acid, CF3C(O)OH (1993) (12)
- Bimolecular reaction of molecular oxygen with overtone excited HOOH: Implications for recycling HO2 in the atmosphere (2003) (12)
- The Trifluoromethoxycarbonyl Radical CF3OCO (2002) (11)
- Primary steps in the reaction of OH radicals with amino acids at low temperatures in Laval nozzle expansions: perspectives from experiment and theory. (2009) (11)
- Photochemistry and Non-adiabatic Photodynamics of the HOSO Radical. (2021) (11)
- A study of the kinetics and mechanisms involved in the atmospheric degradation of bromoform by atomic chlorine (2002) (11)
- Production of singlet oxygen atoms by photodissociation of oxywater. (2009) (11)
- Atmospheric oxidation mechanism of 1,2-dibromoethane. (2009) (11)
- Kinetics of the Reaction between Cyclopentylperoxy Radicals and HO2 (1997) (11)
- Heterocumulene Sulfinyl Radical OCNSO. (2017) (11)
- SPECTROSCOPIC CONSTANTS OF THE X1Σ+ AND 13Π STATES OF AlO+ (2016) (11)
- An examination of pathways for the reaction of oxygen(3P) atoms with fluorooxomethyl(2A') radicals (1990) (11)
- TOWARD THE ASTRONOMICAL DETECTION OF THE PROTON-BOUND COMPLEX NN–HCO+: IMPLICATIONS FOR THE SPECTRA OF PROTOPLANETARY DISKS (2016) (11)
- Triplet state promoted reaction of SO2 with H2O by competition between proton coupled electron transfer (pcet) and hydrogen atom transfer (hat) processes. (2019) (11)
- An ab initio study of the reaction of HOCO radicals with NO2: addition/elimination mechanism. (2009) (11)
- Potential energy surface for the hydroperoxy and water (HO2·H2O) radical complex (2002) (11)
- NO2 Quantum Yield from the 248 nm Photodissociation of Peroxynitric Acid (H02N02) (2001) (11)
- Can Urea Be a Seed for Aerosol Particle Formation in Air? (2018) (11)
- Br2 molecular elimination in photolysis of (COBr)2 at 248 nm by using cavity ring-down absorption spectroscopy: a photodissociation channel being ignored. (2011) (11)
- Quantum Chemical Analysis of the CO-HNN+ Proton-Bound Complex. (2016) (11)
- Determination of the Heats of Formation of FC(O)O and FC(O)OH (1994) (11)
- FNO : another challenging molecule for correlation methods (1993) (11)
- Ab initio study of the reaction of ozone with bromide ion. (2015) (11)
- Evidence of the Elusive Gold-Induced Non-Classical Hydrogen Bonding in Aqueous Environments. (2020) (11)
- New Insights into Martian Atmospheric Chemistry (2014) (11)
- Rate measurement of reactions of trifluoromethyl radicals with nitrogen dioxide (1989) (10)
- Mechanism for Rapid Conversion of Amines to Ammonium Salts at the Air-Particle Interface. (2020) (10)
- ON THE MECHANISM OF THE BRO + HBR REACTION (1999) (10)
- Reaction Rate Constant Determination of Association Reactions Using Theoretical Calculations: A Case Study of the HO2 + NO2 Reaction (2000) (10)
- Caged Nitric Oxide-Thiyl Radical Pairs. (2019) (10)
- A theoretical study of the structure and vibrational spectrum of trifluoromethanol (1984) (10)
- Accurate ab initio spectroscopic and thermodynamic properties of BBrx and HBBrx (x=0, +1, −1) (2001) (10)
- A theoretical study of the Ã2A1—X̃ 2E transition in trifluoromethoxy radical (1991) (10)
- The Methylsulfonyloxyl Radical, CH3SO3. (2015) (10)
- Protonation of water clusters induced by hydroperoxyl radical surface adsorption. (2011) (10)
- Atmospheric oxidation of trichloroethylene: an ab initio study. (2010) (10)
- Reactions of Criegee Intermediates with Non-Water Greenhouse Gases: Implications for Metal Free Chemical Fixation of Carbon Dioxide. (2017) (10)
- Energetics of the reactions of FCO with O2 using unrestricted Møller-Plesset perturbation theory with spin annihilation (1988) (10)
- STUDY OF THE STABILITY OF CL2O3 USING AB INITIO METHODS (1997) (10)
- The Aqueous Surface as an Efficient Transient Stop for the Reactivity of Gaseous NO2 in Liquid Water. (2020) (10)
- Infrared multiphoton decomposition and energy‐dependent absorption cross sections of chloroethane‐d0, ‐2‐d1, and ‐2,2,2‐d3 (1983) (10)
- Hydroxyalkoxy radicals: importance of intramolecular hydrogen bonding on chain branching reactions in the combustion and atmospheric decomposition of hydrocarbons. (2014) (10)
- An ultralow-density porous ice with the largest internal cavity identified in the water phase diagram (2019) (10)
- Electronic structure of NSO(-) and SNO(-) anions: Stability, electron affinity, and spectroscopic properties. (2015) (10)
- Complete active space self‐consistent field and density functional study of FNO (1994) (10)
- The role of CF3C(O)Ox radicals in atmospheric chemical processes (1992) (10)
- HNO3-NHx, H2SO4-NHx, CH(O)OH-NHx, and CH3C(O)OH-NHx complexes and their role in the formation of condensation nuclei. (2011) (9)
- HNS(+) and HSN(+) cations: Electronic states, spin-rovibronic spectroscopy with planetary and biological implications. (2016) (9)
- PROTONATED HYDROCHLOROUS ACID (HOCLH+) : MOLECULAR STRUCTURE, VIBRATIONAL FREQUENCIES, AND PROTON AFFINITY (1995) (9)
- The mechanism of the CH3O+CO reaction and the stability of the CH3OCO radical (1998) (9)
- AN EXAMINATION OF THE REACTION PATHWAYS FOR THE HOOOBR AND HOOBRO COMPLEXES FORMED FROM THE HO2 + BRO REACTION (1999) (9)
- The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism. (2011) (9)
- Molecular structure and energetics of BrOx radicals (where x=1, 2, and 3) (1998) (9)
- Spectroscopic properties and stability of the SH x H2O open shell complex. (2009) (9)
- The proton affinity of HOBr (1996) (9)
- Ab initio spectroscopic characterization of the HNNO and ONHN radicals. (2011) (9)
- Computational study of hydrogen-bonded complexes of HOCO with acids: HOCO⋯HCOOH, HOCO⋯H2SO4, and HOCO⋯H2CO3. (2012) (9)
- DENSITY-FUNCTIONAL STUDY OF THE EQUILIBRIUM STRUCTURES, VIBRATIONAL SPECTRA, AND ENERGETICS OF CH3OBR AND CH3BRO (1998) (9)
- Infrared and ultraviolet spectroscopic characterization of trifluoroacetaldehyde (1992) (9)
- Dissociation dynamics of CF3C(O)X compounds (where X = H, F and Cl) (1992) (9)
- An ab initio study of the structure and stability of Cl− · HOCl anionic complex (1996) (9)
- Multiple infrared photon dissociation and kinetics of CF3O radicals (1982) (9)
- Two-step reaction mechanism reveals new antioxidant capability of cysteine disulfides against hydroxyl radical attack (2020) (9)
- Infrared multiphoton decomposition and energy-dependent absorption cross section of chloroethane (1982) (9)
- A coupled-cluster study of the HOBr→HBrO transition state (1999) (9)
- Low-lying excited states of HO2–HONO, HO2–HONO2, and HO2–HO2NO2 complexes (2001) (9)
- Ab initio and analytical intermolecular potential for ClO-H2O. (2007) (9)
- Side-on versus end-on bonding of O2 to the FSO3 radical: matrix isolation and ab initio study of FSO5. (2007) (9)
- International Scientific Collaborations: A Key to Scientific Success. (2015) (9)
- The trifluoromethyltrioxy radical, CF3OOO. (2003) (9)
- Photodissociation of bromoform cation at 308, 355, and 610 nm by means of time-of-flight mass spectroscopy and ion velocity imaging (2003) (9)
- A theoretical study of the structures and vibrational spectra of dioxirane and difluorodioxirane (1985) (8)
- Sulfur atom exchange in the reaction of SH radicals with S atoms. (2007) (8)
- Excited states and photodissociation of hydroxymethyl hydroperoxide. (2008) (8)
- The Trifluoromethyl Sulfinyl and Oxathiyl Radicals. (2017) (8)
- Red-Light Initiated Decomposition of α-Hydroxy Methylperoxy Radical in the Presence of Organic and Inorganic Acids: Implications for the HOx Formation in the Lower Stratosphere. (2016) (8)
- Decomposition pathways of carbonofluorochloridic acid on the ground-state potential energy surface and its implication for a design strategy for alternative halocarbons (1989) (8)
- Full-Dimensional Theory of Pair-Correlated HNCO Photofragmentation. (2017) (8)
- Characterization and reactivity of the weakly bound complexes of the [H, N, S](-) anionic system with astrophysical and biological implications. (2015) (8)
- Accurate theoretical spectroscopy of the lowest electronic states of CP radical (2014) (8)
- Spectral marker for Cα damage in beta peptides. (2013) (8)
- Theoretical Characterization of FOOCl: Implications for the Atmospheric Chemistry between FOOx and ClOx Species (1994) (8)
- Reactivity of Undissociated Molecular Nitric Acid at the Air-Water Interface. (2020) (8)
- Reactivity of hydropersulfides toward the hydroxyl radical unraveled: disulfide bond cleavage, hydrogen atom transfer, and proton-coupled electron transfer. (2018) (8)
- Infrared photochemistry of bis(trifluoromethyl) peroxide (1981) (8)
- Hydrogen bonding in cubic(H2O)8andOH∙(H2O)7clusters (2005) (8)
- Location of the first excited states of fluorinated ethers, E143a (CH3OCF3), E134 (CHF2OCHF2), and E125 (CHF2OCF3) (1999) (8)
- Photochemistry of HOSO radical in the gas phase. (2019) (8)
- A Possible Progenitor of the Interstellar Sulfide Bond: Rovibrational Characterization of the Hydrogen Disulfide Cation HSSH+ (2018) (8)
- Atmospheric oxidation of tetrachloroethylene: an ab initio study. (2010) (8)
- A study of the gas-phase reaction of carbonyl fluoride with water (1993) (8)
- Theoretical characterisation of the lowest n→π* electronic state of CF2O. Is it planar or non-planar? (1993) (8)
- Bromite ion catalysis of the disproportionation of chlorine dioxide with nucleophile assistance of electron-transfer reactions between ClO(2) and BrO(2) in basic solution. (2002) (8)
- A theoretical study of the isomerization pathways for HBrO2 isomers (1999) (8)
- Computational Prediction of Novel Ice Phases: A Perspective. (2020) (8)
- Relationship between the structure and enantioselectivity in the asymmetric reduction of 2′,6′-disubstituted acetophenones with DIP-ChlorideTM. An ab initio study (2004) (7)
- The isomerization of HOOBr to HOBrO (2000) (7)
- Photochemistry of HOSO2 and SO3 and Implications for the Production of Sulfuric Acid. (2021) (7)
- A study of competitive secondary dissociation in the thermal decomposition of ethynylsilane (1989) (7)
- Coupled cluster study of the energetic properties of S2x (x=0,+1,1). (2007) (7)
- Infrared photochemistry of cyclobutyl chloride (1981) (7)
- Ab initio quantum-chemical study of the unimolecular pyrolysis mechanisms of fluoroformic and chloroformic acid (1991) (7)
- Adiabatic ionization potential and electron affinity of formaldehyde (1999) (7)
- A group increment scheme for infrared absorption intensities of greenhouse gases (2012) (7)
- A DENSITY FUNCTIONAL STUDY OF THE EQUILIBRIUM STRUCTURE, VIBRATIONAL SPECTRUM, AND HEAT OF FORMATION OF BR2O3 (1998) (7)
- New Insights into the Stability of Anhydrous 2H-imidazolium Fluoride and its High Dissolution Capability toward a Strongly Hydrogen-bonded Compound. (2020) (7)
- Theoretical Investigation of the Photoexcited NO2 + H2O reaction at the Air-Water interface and Its Atmospheric Implications. (2019) (7)
- Internal rotational barriers of ClOOCl (1995) (7)
- AB INITIO STUDY OF THE MECHANISM FOR THE REACTION OF CF2 RADICALS WITH OH (1998) (7)
- Comprehensive theoretical study of vinylsilane primary dissociation pathways (1989) (7)
- A re-examination of the infrared and ultraviolet spectroscopy of trifluoroacetyl fluoride and trifluoroacetyl chloride: An experimental and theoretical study (1992) (7)
- Substituent effects on the spectroscopic properties of Criegee intermediates. (2017) (7)
- Multiple Stable Isoprene-Ozone Complexes Reveal Complex Entrance Channel Dynamics in the Isoprene + Ozone Reaction. (2020) (7)
- Theoretical study of the spectroscopically relevant parameters for the detection of HNP(q) and HPN(q) (q = 0, +1, -1) in the gas phase. (2012) (7)
- Binding of the atomic cations hydrogen through argon to water and hydrogen sulfide. (2018) (7)
- Coupled-cluster and multireference configuration interaction study of the low-lying excited states of the H2O2-H2O complex. (2012) (7)
- Spectroscopic characterization of the five possible orientations of a hydrogen-bonded pair of water molecules within the cubic water octamer framework (2005) (7)
- OH.N2 and SH.N2 radical-molecule van der Waals complex. (2009) (7)
- Structure, vibrational spectra and energetics of OBrO+ (1998) (7)
- A Theoretical Examination of the Isomerization Pathways for HBrO 3 Isomers (2000) (7)
- A quadratic configuration interaction study of the proton affinity of acetic acid (2002) (7)
- Low-lying excited states of HOOOCl and HOOOBr (2000) (6)
- Reaction of FO Radicals with CO: An ab Initio Study of the Reaction Mechanism (1997) (6)
- Post-Hartree-Fock study on FOCl + and FClO + (1998) (6)
- Observation of the laser induced fluorescence spectra of C2(d 3πg←a 3πu) from the infrared multiphoton dissociation of bis‐trifluoromethyl peroxide (1992) (6)
- Deprotonation energy of HO2: Basis set limit energies (2001) (6)
- Two-dimensional dry ices with rich polymorphic and polyamorphic phase behavior (2018) (6)
- Explicitly correlated three-dimensional potential-energy surface of the thiazyl-hydride–helium weakly bound system and implications for HSN detection (2016) (6)
- How Does the Central Atom Substitution Impact the Properties of a Criegee Intermediate? Insights from Multireference Calculations. (2017) (6)
- Structural and spectral consequences of ion pairing. 5. Theoretical study of lithium(1+) and sodium(1+) with tetrahydroborate(1-) (1992) (6)
- Proton Affinity of Peroxyacetyl Nitrate (PAN) (2001) (6)
- An ab initio study of the reaction of atomic fluorine and chlorine with trifluoroacetaldehyde (1993) (6)
- A computational study of dissociation pathways in the FOC1-FC1O system (1995) (6)
- Determination of the CC bond dissociation energy in cyanogen (1995) (6)
- An ab initio study of the structure, vibrational frequencies and heat of formation of ONCO radical (1995) (6)
- The matrix-isolated molecular complexes CO/XF (X=Cl,Br,I) and the molecular structure of FC(O)Br. (2004) (6)
- Photoinduced Sulfur-Nitrogen Bond Rotation and Thermal Nitrogen Inversion in Heterocumulene OSNSO. (2018) (6)
- Very low-pressure pyrolysis of chloroethane-2,2,2-d3. Kinetics of hydrochloric acid-d elimination and the effect of carbon dioxide inert bath gas (1981) (6)
- A study of hydrogen abstraction reactions by halogen atoms with HFCO and HClCO: determination of transition state structures, barrier heights, and vibrational frequencies (1993) (6)
- Gas-phase hydrolysis of trifluoromethyl carbonyl halides to trifluoroacetic acid (1992) (6)
- A computational study of the reaction between FO radicals and methane (1993) (6)
- Thermochemistry of possible degradation pathways for compounds CF3 CHXY(X, Y = H, F, Cl) using AM1 and MNDO semiempirical methods (1993) (6)
- Evaluation of the atmospheric lifetime and radiative forcing (2001) (6)
- Adsorption Behaviors and Phase Equilibria for Clathrate Hydrates of Sulfur- and Nitrogen-Containing Small Molecules (2018) (6)
- A complete active space self-consistent field multiconfiguration reference configuration interaction study of the potential energy curves of the ground and excited states of CCl (2001) (6)
- Molecular oxygen generation from the reaction of water cations with oxygen atoms. (2019) (6)
- Atmospheric oxidation mechanism of bromoethane. (2007) (6)
- Coupled cluster study of the energetic and spectroscopic properties of OPOx (x=O,+1,−1) (2002) (6)
- Atmospheric Photochemistry of Alternative Halocarbons (2007) (6)
- Das Trifluormethyltrioxyradikal, CF3OOO (2003) (6)
- Anharmonic Frequencies and Spectroscopic Constants of OAlOH and AlOH: Strong Bonding but Unhindered Motion. (2020) (6)
- Two-dimensional monolayer salt nanostructures can spontaneously aggregate rather than dissolve in dilute aqueous solutions (2021) (6)
- Unraveling Molecular Mechanism on Dilute Surfactant Solution Controlled Ice Recrystallization. (2020) (6)
- Spectroscopy and Stability of AlOP: A Possible Progenitor of Interstellar Metal. (2018) (6)
- Competition between hydrogen abstraction and halogen displacement in the reaction of Br with CH3I, CH3Br, and CH3Cl. (2007) (6)
- Mechanistic Insight into the Reaction of Organic Acids with SO 3 at the Air–Water Interface (2019) (6)
- Production of hydrogen peroxide enabled by microdroplets (2019) (6)
- Structure, spectroscopic properties, and photochemistry of the hydroxymethoxy radical. (2009) (6)
- H-X (X = H, CH3, CH2F, CHF2, CF3, and SiH3) Bond Activation by Criegee Intermediates: A Theoretical Perspective. (2017) (6)
- Ultraviolet spectroscopy of the B 2A’ and C 2A‘ states of FCO (1994) (6)
- A theoretical study of the structure and vibrational spectrum of trifluoromethylperoxy radical (1984) (6)
- Theoretical study of chlorine nitrates: implications for stratospheric chlorine chemistry. (2003) (6)
- Rotational (de-)excitation of HNS by He: three-dimensional potential energy surface and collision rate coefficients (2016) (6)
- Photochemistry of OPN: Formation of Cyclic PON and Reversible Combination with Carbon Monoxide. (2018) (6)
- The hypothiocyanite radical OSCN and its isomers. (2017) (6)
- KINETICS OF THE REACTION OF CF3O WITH NO (1995) (6)
- Determination of the CC bond dissociation energy in C3N radical (2000) (6)
- Impacts of cloud water droplets on the OH production rate from peroxide photolysis. (2017) (5)
- A computational evaluation of the structure and heat of formation for FOCl and Cl2O (1994) (5)
- Structural and spectroscopic study of the linear proton-bound complex of PN with HNP+. (2013) (5)
- Accurate ab initio spectroscopic properties of HOPx and HPOx (x=−1,0,+1) (2003) (5)
- Hydrogen Sulfide Induced Carbon Dioxide Activation by Metal-Free Dual Catalysis. (2016) (5)
- An ab initio study of the hydrogen abstraction reaction of methane by bromine atoms and bromine monoxide radicals (2001) (5)
- Integrating a Study Skills Workshop and Pre-Examination To Improve Students' Chemistry Performance. (1998) (5)
- Identification of Key Intermediates during the NO and H2S Crosstalk Signaling Pathways. (2018) (5)
- Molecular insights into organic particulate formation (2019) (5)
- Mechanistic study of the aqueous reaction of organic peroxides with HSO3- on the surface of a water droplet. (2021) (5)
- Molecular structure, spectroscopy and matrix photochemistry of fluorocarbonyl iodide, FC(O)I. (2004) (5)
- A possible unaccounted source of atmospheric sulfate formation: amine-promoted hydrolysis and non-radical oxidation of sulfur dioxide† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc04756e (2020) (5)
- Photodissociation studies of CBr(4) (+) and CBr(3) (+) at 267 nm using ion velocity imaging. (2004) (5)
- A computational study of the reaction of C2 with CH4 (1994) (5)
- Mechanisms for the breakdown of halomethanes through reactions with ground-state cyano radicals. (2015) (5)
- On the role of HNS and HSN as light-sensitive NO-donors for delivery in biological media. (2015) (5)
- A Coupled Cluster Investigation of SNO Radical Isomers and Their Reactions with Hydrogen Atom: Insight into Structures, Conformers, Barriers, and Energetics. (2017) (5)
- Dissociation of acetyl bromide: an experimental and theoretical study (1995) (5)
- An examination of the heats of formation for HFCO and HClCO molecules (1990) (5)
- The vibrational spectrum of FBrCO (1992) (5)
- Energetic Properties and Electronic Structure of [Si,N,S] and [Si,P,S] Isomers. (2016) (5)
- An improved estimate of the heat of formation of HOOF (1993) (5)
- Communication: theoretical prediction of the structure and spectroscopic properties of the X̃ and à states of hydroxymethyl peroxy (HOCH2OO) radical. (2013) (5)
- The Formation of a Surprisingly Stable HO2—H2SO4 Complex. (2001) (5)
- Laser-Induced Fluorescence of CF2 from a CH4 Flame and an H2 Flame with Addition of HCFC-22 and HFC-134a (1998) (5)
- Tight electrostatic regulation of the OH production rate from the photolysis of hydrogen peroxide adsorbed on surfaces (2021) (5)
- Energetics for the reaction of CBr2O with water (2002) (5)
- Symmetry Breaking and the Molecular Structure of NO3 (2001) (5)
- Activation of dioxygen by halocarbon ions (2000) (5)
- STUDY OF THE STABILITY OF BRCLO3 ISOMERS (1998) (5)
- CAN CHLORINE ANION CATALYZE THE REACTION OF HOCL WITH HCL (1997) (5)
- Reply to "Comment on the Atmospheric Chemistry of FNO" (1994) (5)
- A density functional study of structure and heat of formation for Br2O4 and Br2O5 (2002) (5)
- Heterogeneous degradation of carbon tetrachloride : Breaking the carbon-chlorine bond with activated carbon surfaces (1999) (5)
- Proton Affinity of Peroxyacetic Acid (2004) (5)
- Bridged HPSi and Linear HSiP as Probes of the SiP Radical in Astrophysical/Interstellar Media (2017) (4)
- High level ab initio study of the structure and vibrational spectra of HO(2)NO(2). (2004) (4)
- Electronic and spectroscopic characterizations of SNP isomers. (2018) (4)
- Ab initio study of chain branching reactions involving second generation products in hydrocarbon combustion mechanisms. (2012) (4)
- Diode laser spectroscopy of the ν9 band of ethyl chloride (1982) (4)
- HIOx-IONO2 Dynamics at the Air-Water Interface: Revealing the Existence of a Halogen Bond at the Atmospheric Aerosol Surface. (2020) (4)
- Thioaldehydes from Aldehyde-Hydrogen Sulfide Interaction Under Organocatalysis. (2017) (4)
- A theoretical study of the spectroscopy and dissociation dynamics of HBrCO (1992) (4)
- Toward the laboratory identification of [O,N,S,S] isomers: Implications for biological NO chemistry. (2016) (4)
- Radical-induced core destruction of monolayer-protected metal clusters (2001) (4)
- Toward the laboratory identification of the not-so-simple NS2 neutral and anion isomers. (2017) (4)
- The trifluoromethoxy carbonyl peroxy radical CF3OC(O)OO. (2002) (4)
- Molecularly Tuning the Radicaloid N-H···O═C Hydrogen Bond. (2016) (4)
- The Trifluoromethoxy Sulfuryl Radical, CF3OSO2. (2004) (4)
- Hydroxyl-radical-initiated oxidation mechanism of bromopropane. (2008) (4)
- Hydroxyl radical substitution in halogenated carbonyls: oxalic acid formation. (2010) (4)
- Accurate spectroscopic characterization of the HOC(O)O radical: A route toward its experimental identification. (2017) (4)
- Structural and spectral consequences of ion pairing: A theoretical study of CF3O−Li+ and CF3O−Na+ (1985) (4)
- Rate Constants for Reactions of O(1D) with Partially Fluorinated Ethers, E143A (CH3OCF3), E134 (CHF2OCHF2), and E125 (CHF2OCF3) (1999) (4)
- An Ab Initio Study of the Structures, Vibrational Spectra, and Energetics of AlSHX (X = –1, 0, +1) (2007) (4)
- A synergetic stabilization and strengthening strategy for two-dimensional ordered hybrid transition metal carbides. (2018) (4)
- Reactivity of Atmospherically Relevant Small Radicals at the Air—Water Interface (2012) (4)
- Ab initio study of the structure, bonding, vibrational spectra, and energetics of XBS+ (where X=H, F, and Cl). (2006) (4)
- Ab initio ro-vibronic spectroscopy of the Π2 PCS radical and Σ+1PCS- anion. (2016) (4)
- Heterogeneous Reactions of SO3 on Ice: An Overlooked Sink for SO3 Depletion. (2020) (4)
- An ab initio study of the low-lying electronic excited states of CH3OBr (2000) (4)
- Theoretical and Experimental Investigation of the UV Cross Section and Kinetics of the Methyl Formate Peroxy Radical (2003) (4)
- Bond dissocation and conformational energetics of tetrasulfur: a quantum Monte Carlo study. (2008) (4)
- Photodissociation dynamics of CBr4 at 267 nm by means of ion velocity imaging. (2006) (4)
- Atmospheric oxidation of peroxyacetic acid. (2013) (4)
- Laser-induced fluorescence spectroscopy of the trifluoroacetyl radical CF3CO (1993) (4)
- State-averaged CASSCF and MRCI studies on the ground and low-lying singlet excited states of methylacetylene (1999) (4)
- Changing the Product State Distribution and Kinetics in Photocatalytic Surface Reactions Using Pulsed Laser Irradiation (1998) (4)
- Dimerization and trapping of diazirinyl radicals (2004) (4)
- Benchmark study of the structural and spectroscopic parameters of the hydroxymethyl peroxy (HOCH2OO) radical and its decomposition reaction to HO2 and H2CO. (2017) (4)
- Intramolecular hydrogen bonding in malonaldehyde and its radical analogues. (2017) (4)
- High-level Ab Initio Studies of the Spectroscopic Properties of Triatomic [Al, S, O]x (x = 0, +1) and Its Potential for Detection in Space (2020) (4)
- The formation of a surprisingly stable HO(2)-H(2)SO(4) complex. (2001) (3)
- An experimental and computational study of the methyl formate radical ultraviolet spectrum (2000) (3)
- Carbon Atom-Initiated Degradation of Carbon Tetrachloride in the Presence of Molecular Oxygen: A Product and Mechanistic Study (1998) (3)
- Thermodynamics and Kinetics for the Free Radical Oxygen Protein Oxidation Pathway in a Model for β-Structured Peptides. (2016) (3)
- Ab initio studies on the low-lying excited states of ClO3 and BrO3 (2000) (3)
- Advances in electronics & electron physics : Vol. 63, edited by Peter W. Hawkes. Academic Press, New York (1985). (1986) (3)
- Spectroscopy and characterization of AlNX (X = O and S): Triatomic circumstellar molecules. (2019) (3)
- Molecular boxes as storage containers for H 2 (2004) (3)
- Designing Flexible Quantum Spin Hall Insulators through 2D Ordered Hybrid Transition-Metal Carbides (2019) (3)
- AB INITIO STUDY ON THE POTENTIAL ENERGY HYPERSURFACE OF FC(O)O (1997) (3)
- A Møller-Plesset perturbation theory and coupled-cluster study of the reaction enthalpies and barrier heights for the FCO + H2 → HFCO + H abstraction reaction (1997) (3)
- A New Frontier in Atmospheric Chemistry: Computational Atmospheric Chemistry (2011) (3)
- TiO2/β-C3N4 for sunlight-driven overall water splitting (2022) (3)
- Formation of porous ice frameworks at room temperature (2021) (3)
- A density functional study of the structures and energetics of CXBrO where X = H, Cl, and Br (1999) (3)
- Resolving the HONO formation mechanism in the ionosphere via ab initio molecular dynamic simulations (2016) (3)
- Photosensitization mechanisms at the air–water interface of aqueous aerosols (2022) (3)
- A COMPUTATIONAL STUDY OF THE REACTION BETWEEN METHYL RADICALS AND HXCO (WHERE X = H AND F) (1995) (3)
- Scholarly Integrity. (2017) (3)
- Reactions of organosilanes initiated by infrared multiple photon excitation (1987) (3)
- On the mechanism for the reaction of fluoroformyl radicals radicals with NO: a theoretical study (1999) (3)
- Specific inter-domain interactions stabilize a compact HIV-1 Gag conformation (2019) (3)
- Are helionitronium trications stable? (2002) (3)
- Heat of formation determination of the ground and excited state of cyanomethylene (HCCN) radical (1994) (3)
- Stratospheric Bromine Chemistry: Insights from Computational Studies (1999) (3)
- Observation of ethylsilylene product in the infrared multiphoton dissociation of ethylsilane (1991) (3)
- Structure, Vibrational Frequencies, and Stability of a Reactive Intermediate: FOONO (1997) (3)
- Analytic ab initio-based molecular interaction potential for the BrO⋅H2O complex. (2016) (3)
- Gas-Phase Unimolecular Dissociation Reveals Dominant Base Property of Protonated Homocysteine Sulfinyl Radical Ions. (2016) (3)
- Two-Dimensional Carbonitride MXenes as an Efficient Electrocatalyst for Hydrogen Evolution (2021) (3)
- An ab initio investigation of the ground and low-lying singlet and triplet electronic states of XNO2 and XONO (X = Cl, Br, and I). (2014) (3)
- Phonon-mediated stabilization and softening of 2D transition metal carbides: case studies of Ti2CO2 and Mo2CO2. (2018) (3)
- The role of triplet states in the long wavelength absorption region of bromine nitrate (2003) (3)
- The Triplet Hydroxyl Radical Complex of Phosphorus Monoxide. (2020) (3)
- Proton affinity of methyl nitrite and methyl peroxynitrite: implications for measuring branching ratios of alkyl nitrates and nitrites. (2008) (3)
- Photodissociation of carbonic dibromide at 267 nm: Observation of three-body dissociation and molecular elimination of Br2 (2002) (3)
- Structures, Relative Stabilities, and Vibrational Spectra of Isomers of HClO3. (1996) (3)
- An ab initio study of the structure, vibrational frequencies and intensities of the chloroformyl van der Waals radical (1992) (3)
- The role of complexes of water and carbonyl containing molecules in the atmosphere (2000) (3)
- Hydrogen atom abstraction from HOOOCl by chlorine atom and OH radical (2007) (3)
- Degradation of alternative halocarbons. Decomposition pathways of trifluoroethoxy radicals (1993) (3)
- Spectroscopic characterization of the first excited state and photochemistry of the HO3 radical. (2020) (3)
- BEING COMPETITIVE IN THE GLOBAL MARKETPLACE (2010) (3)
- The Future of U.S. Chemistry Research, Benchmarks and Challenges (2007) (3)
- Multiple pathways for the direct formation of SiH2 from the photodissociation of ethylsilane (1989) (3)
- Neutron Diffraction Study of Significant sp3 and sp2 C-H Bond Shortening in a Fluorinated Pyridinium Saccharinate. (2021) (3)
- Dihalogenated Methylperoxy Radicals: Spectroscopic Characterization and Photodecomposition by Release of HO•. (2020) (2)
- Reaction Pathways for Gas-Phase Hydrolysis of Formyl Compounds HXCO (X: H, F, and Cl) (1993) (2)
- Ab initio study of the electronic spectrum of peroxyacetyl nitrate. (2004) (2)
- Experimental and computational investigation of vinoxy and 1-methylvinoxy radicals from the unimolecular decay of alkyl-substituted Criegee intermediates (2020) (2)
- Oxygen atom exchange in reactions of OH radicals with NO and ClO (1998) (2)
- Chemistry in a Global Economy An Education Agenda. (2008) (2)
- A CASSCF-MRCI study of the electronic excited states of FClO and FOCl (1999) (2)
- Low-lying electronic states ionization potential for ethylsilylene (1988) (2)
- Mechanisms of Acid-Promoted N2 and N2O Generation from NH2NO and NH2NO2. (2020) (2)
- Proton affinity of methyl peroxynitrate. (2008) (2)
- Molecular Interaction and Orientation of HOCl on Aqueous and Ice Surfaces. (2020) (2)
- An ab initio calculation of the energetics for the FO+HCI→HOF+Cl reaction (1994) (2)
- An experimental study of the mechanism and branching ratio for the reaction between methyl formate and chlorine atoms (2002) (2)
- Bipolar magnetic semiconductors among the intermediate states during the conversion from Sc 2 C ( OH ) 2 to Sc 2 CO 2 MXene (2017) (2)
- Ab initio study of the electronic spectrum of the CH3OCH2 radical (1999) (2)
- Ab initio prediction of the barrier height for abstraction of hydrogen from H2O2 by ClO radical (1995) (2)
- Efficient exploration of complex free energy landscapes by stepwise multi-subphase space metadynamics. (2022) (2)
- Adsorption and isomerization of glyoxal and methylglyoxal at the air/hydroxylated silica surface. (2020) (2)
- Spectroscopic Characterization of the First and Second Excited States of the HOSO Radical. (2021) (2)
- Spectroscopic characterization of two peroxyl radicals during the O2-oxidation of the methylthio radical (2022) (2)
- Criegee intermediate inside fullerene cage: Evidence for size-dependent reactivity. (2018) (2)
- The reaction of FO with HO2: An examination of the coupling of FOOx species with the HOx cycle (1992) (2)
- Theoretical characterization of the trifluoromethyltrioxy radical (1985) (2)
- A maximum entropy model for branching ratios in multiple infrared photon dissociation (1981) (2)
- Spectroscopic Identification of H2 NSO and syn- and anti-HNSOH Radicals. (2018) (2)
- Hydrogen bonding in cubic (H{sub 2}O){sub 8} and OH{center_dot}(H{sub 2}O){sub 7} clusters (2005) (2)
- A COUPLED-CLUSTER STUDY OF THE MECHANISM FOR THE CHF+H REACTION (1999) (2)
- Spectroscopic evidence for the existence of the CF3OSO3 radical. (2005) (2)
- Spectral Signatures of Hydrogen Thioperoxide (HOSH) and Hydrogen Persulfide (HSSH): Possible Molecular Sulfur Sinks in the Dense ISM (2022) (2)
- Unraveling sulfur chemistry in interstellar carbon oxide ices (2022) (1)
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- Editorial: Securing Academic Freedom through Networks. (2019) (1)
- An examination of the structure and inversion barrier for lithium and sodium phosphide (1993) (1)
- Energetic Properties, Spectroscopy, and Reactivity of NF3O. (2020) (1)
- Globalization, Opportunities, Readiness, And ACS: ACS International Center (2011) (1)
- EXPERIMENTAL AND THEORETICAL PROGRESS IN UNDERSTANDING THE ROLE OF CX3 RADICALS IN ATMOSPHERIC CHEMICAL PROCESSES (1995) (1)
- An investigation of the formation of OBrO radicals from the HO + HOBrO reaction (2001) (1)
- Theoretical Studies of the Energetics of Radicals (1996) (1)
- Mechanistic Study of the Aqueous Reaction of Organic Peroxides with HSO 3 − on the Surface of a Water Droplet (2021) (1)
- Photochemistry from low-lying states of HOSO. (2020) (1)
- Vibrational analysis of chloroethane-2-d1 (1982) (1)
- Frontispiece: The Methylsulfonyloxyl Radical, CH3SO3 (2015) (1)
- The OBrO C((sup 2)A(sub 2)) X ((sup 2)B(sub 1)) Absorption Spectrum (1997) (1)
- Spectroscopic characterization of the ethyl radical-water complex. (2016) (1)
- Communication: Interaction of BrO radical with the surface of water. (2016) (1)
- Probing the radical and base dual properties of peptide sulfinyl radicals via mass spectrometry. (2014) (1)
- Coupled‐cluster studies of HOONO+: Additional conformers of the 2A″ON+ ? OOH complex and a comparison of restricted and unrestricted open‐shell Hartree–Fock coupled‐cluster results (2004) (1)
- Reviews in Computational Chemistry, Volume 19 Edited by Kenny B. Lipkowitz (North Dakota State University), Raima Larter (National Science Foundation, Arlington, VA), Thomas R. Cundari (University of North Texas), and Donald B. Boyd, Editor Emeritus (Indiana University-Purdue University at Indianapo (2004) (1)
- Molecular structure, vibrational frequencies, energetics, and excited states of the HOONO+ ions (2003) (1)
- Rotational (de-)excitation of NS+(X1Σ+) by collision with He at low temperature (2018) (1)
- Structure and vibrational spectra of bromine reservoir species from the atmospheric oxidations of bromoethane and bromopropane (2008) (1)
- Das Methylsulfonyloxyl‐Radikal, CH3SO3 (2015) (1)
- Energetic Properties and Electronic Structure of [C,N,O,P] and [C,N,S,P] Isomers. (2017) (1)
- An Investigation of the Structures, Vibrational Spectra, and Relative Energetics of CH3COBrO3 Isomers (2001) (1)
- Room temperature bilayer water structures on a rutile TiO2(110) surface: hydrophobic or hydrophilic? (2022) (1)
- Cover Picture: A Mass Spectrometric Approach for Probing the Stability of Bioorganic Radicals (Angew. Chem. Int. Ed. 7/2014) (2014) (1)
- Back Cover: Reactivity of Atmospherically Relevant Small Radicals at the Air–Water Interface (Angew. Chem. Int. Ed. 22/2012) (2012) (1)
- COUPLED CLUSTER STUDY OF THE STRUCTURE AND VIBRATIONAL SPECTRUM OF HC(O)O (1999) (1)
- Anharmonic fundamental vibrational frequencies and spectroscopic constants of the potential HSO2 radical astromolecule. (2021) (1)
- PHOTOCHEMISTRY, PHOTOPHYSICS, AND SPECTROSCOPY OF MOLECULAR INFRARED MULTIPLE PHOTON EXCITATION (1986) (1)
- Characterization of the electronic states of the biological relevant SSNO molecule. (2017) (1)
- Structural and spectral consequences of ion-pairing. VI. BO−2Li+ and BO−2Na+ (1992) (1)
- Proton affinity of FNO (1998) (1)
- Robust sensitizer-assisted platinized titanium dioxide in photocatalytic removal of 4-chlorophenol in water: Light tunable sensitizer (2018) (1)
- Stereoisomers of hydroxymethanes: Probing structural and spectroscopic features upon substitution. (2016) (1)
- Spectroscopic identification of the •SSNO isomers. (2020) (1)
- Theoretical rovibrational characterization of HAlNP: Weak bonding but strong intensities (2021) (1)
- Reply to Wallington et al.: Differences in electronic structure of global warming molecules lead to different molecular properties (2010) (1)
- Thermochemistry, structure and reactivity of the trifluoromethoxy radical. (1986) (1)
- CASSCF and MRCI studies on the electronic excited states of CHBrO, CClBrO, and CBr2O (2000) (1)
- The OBrO C( 2 A 2 ) X ( 2 B 1 ) Absorption Spectrum (1997) (1)
- A coupled-cluster study of the molecular structure, vibrational frequencies, and energetics of COBr+ and BrCO+ cations (1999) (1)
- Toward the detection of the triatomic negative ion SPN-: Spectroscopy and potential energy surfaces. (2018) (1)
- Innenrücktitelbild: Red‐Light‐Induced Decomposition of an Organic Peroxy Radical: A New Source of the HO2 Radical (Angew. Chem. 52/2015) (2015) (1)
- Structure and spectroscopic properties of low-lying states of the HOC(O)O radical. (2016) (1)
- Climate Metrics for C1-C4 Hydrofluorocarbons (HFCs). (2020) (1)
- Infrared photochemistry of FBrCO. An experimental and theoretical study (1993) (1)
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- Structural and Spectral Consequences of Ion Pairing. Part 5. Theoretical Study of Li+BH‐ 4 and Na+BH‐ 4. (1992) (0)
- RESEARCH NOTE Coupled cluster study of the structure and vibrational spectrum of HC(O)O (1999) (0)
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- A surface-stabilized ozonide triggers bromide oxidation at the aqueous solution-vapour interface (2017) (0)
- The SF5Ox Radicals, x: 0—3. (2005) (0)
- Structural and Spectral Consequences of Ion Pairing. Part 4. Theoretical Study of BF‐ 4M+ (M: Li, Na, K, and Rb). (2010) (0)
- Back Cover: The Triplet Hydroxyl Radical Complex of Phosphorus Monoxide (Angew. Chem. Int. Ed. 49/2020) (2020) (0)
- The Last Chapter on Chlorofluorocarbon Photooxidation Processes: Formation and Dissociation of FC(O)ONO (1994) (0)
- Inside Back Cover: Thioaldehydes from Aldehyde–Hydrogen Sulfide Interaction Under Organocatalysis (Chem. Eur. J. 11/2017) (2017) (0)
- A Remarkable, Stable Radical-Molecule Complex: HO(2) small middle dotCF(3)C(O)OH. (2000) (0)
- Analysis of and function predictions for previously conserved hypothetical or putative proteins in -4 (2011) (0)
- VIBRATIONAL SPECTRA AND FORCE-FIELD ANALYSIS OF DEUTERATED ETHYL $CHLORIDES^{*}$ (1981) (0)
- Astrochemical Significance of the P + SO Reaction: Spectroscopic Characterization of SPO, PSO, and SOP Isomers (2021) (0)
- New Chemistry in the Atmosphere of Mars (2010) (0)
- Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis (2019) (0)
- Dimethyl ether thermal oxidation at elevated temperatures (295-700K) (poster) (2005) (0)
- Chapter 11 - Computational Study of the Reaction of n-Bromopropane with OH Radicals and Cl Atoms (2008) (0)
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- A Fresh Look At ACS Dues And Member Benefits (2011) (0)
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- Frontispiece: Surprising Stability of Larger Criegee Intermediates on Aqueous Interfaces (2017) (0)
- Endogenous NO 2 -OA-cysteine adducts in fresh olives. (2014) (0)
- Photochemistry of NH2NO2 and implications for chemistry in the atmosphere. (2021) (0)
- OH-STRETCH/TORSION COUPLING AND QUANTUM YIELD EFFECTS IN THE $2\nu_{\rm OH}$ REGION OF THE CIS-CIS HOONO SPECTRUM (2005) (0)
- Reviews in Computational Chemistry, Volume 19 (Book) (2004) (0)
- Detection of NO2-cLA in EVOO. (2014) (0)
- Hydrogen bonding in cubic „ H 2 O (2005) (0)
- Atmospheric Chemistry of Organic Halides (2009) (0)
- MRD-CI study of the photodissociative behavior of HOOOCl, a molecule relevant to atmospheric chemistry. (2005) (0)
- Inside Back Cover: Heterocumulene Sulfinyl Radical OCNSO (Angew. Chem. Int. Ed. 8/2017) (2017) (0)
- The Triplet Hydroxyl Radical Complex of Phosphorus Monoxide (2020) (0)
- Differences in Electronic Structure of Global Warming Molecules Lead to Different Molecular Properties. Reply to Wallington et al. (2010) (0)
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- Hydrogen bonding in cubic ÑH2OÖ8 and OH·ÑH2OÖ7 clusters (2005) (0)
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- Chemistry in a Global Economy: Can Our Curriculum Meet the Challenge? (2016) (0)
- An ab initio study of the structures and energetics of CH{sub 3}OCl and CH{sub 3}ClO (1999) (0)
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- Inside Cover: Gas‐Phase Unimolecular Dissociation Reveals Dominant Base Property of Protonated Homocysteine Sulfinyl Radical Ions (Chem. Eur. J. 3/2016) (2016) (0)
- Analysis of and function predictions for previously conserved hypothetical or putative proteins in -3 (2011) (0)
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- Can chlorine anion catalyze the reaction of HOC1 with HCI (1999) (0)
- CH4 Gas Extraction by CO2: Substitution in Clathrate Hydrate through Bimolecular Iteration (2020) (0)
- Coupled Cluster and Second-Order Møller−Plesset Perturbation Studies of the Mechanism of the Gas-Phase Atom−Radical Reaction of Atomic Hydrogen with CF2 Radical (2000) (0)
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- Simplest N‐Sulfonylamine HNSO2. (2016) (0)
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- Effects of X (X=H2S, SO2 and N2O) Mole Fractions on Adsorption Behavior and Phase Equilibrium Properties of CO2+X Mixed Gas Hydrate (2023) (0)
- The Molecular Structures and Energetics of Cl 2 CO , ClCO , Br 2 CO , and BrCO (0)
- Theoretical modelling of organic reaction mechanisms (1989) (0)
- Cover Feature: Theoretical Investigation of the Photoexcited NO 2 +H 2 O reaction at the Air–Water Interface and Its Atmospheric Implications (Chem. Eur. J. 61/2019) (2019) (0)
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- Kinetics of Homogeneous Multistep Reactors. Comprehensive Chemical Kinetics. Volume 38 By F. G. Helfferich (Pennsylvania State University). Elsevier: Amsterdam and New York. 2001. xv + 410 pp. $244.00. ISBN: 0-444-82606-8. (2002) (0)
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- The trifluoromethoxy sulfuryl radical, CF(3)OSO(2)(.-). (2004) (0)
- SPECTROSCOPY OF JUPITER'S ATMOSPHERE: INSIGHTS FROM DFT AND AB-INITIO CALCULATIONS (2019) (0)
- Inside Back Cover: Red‐Light‐Induced Decomposition of an Organic Peroxy Radical: A New Source of the HO2 Radical (Angew. Chem. Int. Ed. 52/2015) (2015) (0)
- The Reactivity of HNO x Species in Solvent-Free, Aqueous Media and Biological Systems (2002) (0)
- New perspectives on the effect of halocarbon degradation in ozone formation and destruction in stratospheric chemistry: thermochemical consideration of oxidation processes for trihalomethyl radicals (1989) (0)
- Accurate ab initio spectroscopic and thermodynamic properties of BBr x and HBBr x „ x Ä 0 , ¿ 1 , À 1 ... (2001) (0)
- Hydrogen bonding in cubic (H~2O)~8 and OH·(H~2O)~7 clusters (10 pages) (2005) (0)
- A Computational Approach to Understanding Oxidant Chemistry and Aerosol Formation in the Troposphere (2002) (0)
- A Computational Approach to Understanding Aerosol Formation and Oxidant Chemistry in the Troposphere (2006) (0)
- THE 2$\nu_{\rm OH}$ OVERTONE SPECTRUM OF HOONO (2005) (0)
- Rücktitelbild: Reactivity of Atmospherically Relevant Small Radicals at the Air–Water Interface (Angew. Chem. 22/2012) (2012) (0)
- FNO2: improving calculated structures at the second-order Møller—Plesset level of theory (1993) (0)
- Role of an Ice Surface in the Photoreaction of Coumarins. (2022) (0)
- Uptake and hydration of sulfur dioxide on dry and wet hydroxylated silica surface: a computational study (2021) (0)
- Ab initio study of the structure, vibrational spectra and binding energy of HClClO and Cl2ClO complexes (1997) (0)
- Book Review: Unimolecular Reactions—A Concise Introduction. By Wendell Forst. (2004) (0)
- Visible Absorption Spectroscopy of the B 2A1‐X 2B2 Transition of Fluoroformyloxyl Radical, FC(O)O. (1993) (0)
- Diode laser spectroscopy of the nu9 band of ethyl chloride (1982) (0)
- EMISSION FROM THE PRODUCTS OF THE MULTIPHOTON DISSOCIATION OF KETENE AND ACETYL BROMIDE (1994) (0)
- UV SPECTROSCOPY OF THE $B^{2}A'$ AND $C^{2}A'$ STATES OF FCO. (1994) (0)
- Colleagues of Bruce C. Garrett. (2016) (0)
- Matrix-isolated trifluoromethylthiyl radical: sulfur atom transfer, isomerization and oxidation reactions. (2021) (0)
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Other Resources About Joseph Francisco
What Schools Are Affiliated With Joseph Francisco?
Joseph Francisco is affiliated with the following schools:
- University of California, Berkeley
- University of Texas at Austin
- University of East Anglia
- California Institute of Technology
- Wayne State University
- Beijing Normal University
- Massachusetts Institute of Technology
- University of Nebraska–Lincoln
- Purdue University
- Case Western Reserve University
- Bielefeld University
- Australian National University
- University of Pennsylvania
