Anne McCoy
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American physical and computational chemist
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Anne McCoychemistry Degrees
Chemistry
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Computational Chemistry
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Chemistry
Anne McCoy's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is Anne McCoy Influential?
(Suggest an Edit or Addition)According to Wikipedia, Anne Bowen McCoy is a theoretical chemist. She is the Natt-Lingafelter Professor of Chemistry at the University of Washington, and her research interests include vibrational spectroscopy, hydrogen bonding, and charge-transfer bands. She received the 2023 Jack Simons Award in Theoretical Chemistry “for her development and application of theoretical methods for analyzing the vibrational spectra & dynamics of floppy molecules and clusters.”
Anne McCoy's Published Works
Published Works
- The vibrational predissociation spectra of the H5O2 +RGn(RG = Ar,Ne) clusters: correlation of the solvent perturbations in the free OH and shared proton transitions of the Zundel ion. (2005) (187)
- Spectroscopic snapshots of the proton-transfer mechanism in water (2016) (167)
- Fundamental excitations of the shared proton in the H3O2- and H5O2+ complexes. (2005) (143)
- Prying apart a water molecule with anionic H-bonding: a comparative spectroscopic study of the X-.H2O (X = OH, O, F, Cl, and Br) binary complexes in the 600-3800 cm(-1) region. (2006) (129)
- Rate of Gas Phase Association of Hydroxyl Radical and Nitrogen Dioxide (2010) (118)
- Determination of Noncovalent Docking by Infrared Spectroscopy of Cold Gas-Phase Complexes (2012) (113)
- Infrared-driven unimolecular reaction of CH3CHOO Criegee intermediates to OH radical products (2014) (105)
- Influence of ultraviolet‐B (UV‐B) radiation on photosynthetic and growth characteristics in field‐grown cassava (Manihot esculentum Crantz) (1993) (96)
- Diffusion Monte Carlo approaches for investigating the structure and vibrational spectra of fluxional systems (2006) (93)
- Quantum Deconstruction of the Infrared Spectrum of CH5+ (2006) (90)
- How the Shape of an H-Bonded Network Controls Proton-Coupled Water Activation in HONO Formation (2010) (88)
- Communication: Real time observation of unimolecular decay of Criegee intermediates to OH radical products. (2016) (86)
- Spectroscopic study of the ion-radical H-bond in H4O2+. (2009) (82)
- Rotation–vibration interactions in highly excited states of SO2 and H2CO (1991) (80)
- An H/D isotopic substitution study of the H5O2+.Ar vibrational predissociation spectra: exploring the putative role of Fermi resonances in the bridging proton fundamentals. (2008) (79)
- Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface. (2005) (76)
- Perturbative calculations of vibrational (J=0) energy levels of linear molecules in normal coordinate representations (1991) (74)
- Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach. (2004) (73)
- Vibrational manifestations of strong non-Condon effects in the H3O(+)·X3 (X = Ar, N2, CH4, H2O) complexes: a possible explanation for the intensity in the "association band" in the vibrational spectrum of water. (2012) (71)
- Quantum studies of the vibrations in H3O2- and D3O2-. (2005) (66)
- Unraveling anharmonic effects in the vibrational predissociation spectra of H5O2(+) and its deuterated analogues. (2011) (66)
- Ab initio diffusion Monte Carlo calculations of the quantum behavior of CH5+ in full dimensionality (2004) (65)
- An accurate quartic force field for formaldehyde (1996) (60)
- Theoretical studies of the X̃ 2Π and à 2Σ+ states of the He⋅OH and Ne⋅OH complexes (2000) (54)
- Perturbative approaches to highly excited molecular vibrations of H2O, D2O, and HDO (1990) (54)
- Experimental and theoretical investigations of the He...I2 rovibronic spectra in the I2 B-X, 20-0 region. (2006) (51)
- Anharmonicities and isotopic effects in the vibrational spectra of X-.H2O, .HDO, and .D2O [X = Cl, Br, and I] binary complexes. (2010) (51)
- IR spectroscopy and theory of Cu+(H2O)Ar2 and Cu+(D2O)Ar2 in the O-H (O-D) stretching region: fundamentals and combination bands. (2009) (50)
- Infrared spectrum and stability of the H2O-HO complex: experiment and theory. (2010) (49)
- The bending dynamics of acetylene (1996) (46)
- Quantum, semiclassical and classical dynamics of the bending modes of acetylene (1996) (45)
- A QUANTITATIVE APPROXIMATION FOR THE QUANTUM DYNAMICS OF HYDROGEN TRANSFER: TRANSITION STATE DYNAMICS AND DECAY IN CLHCL- (1994) (45)
- Unraveling the Anomalous Solvatochromic Response of the Formate Ion Vibrational Spectrum: An Infrared, Ar-Tagging Study of the HCO2¯, DCO2¯, and HCO2¯·H2O Ions (2011) (44)
- Deep tunneling in the unimolecular decay of CH3CHOO Criegee intermediates to OH radical products. (2016) (44)
- Hidden role of intermolecular proton transfer in the anomalously diffuse vibrational spectrum of a trapped hydronium ion (2017) (41)
- Calculation of infrared intensities of highly excited vibrational states of HCN using Van Vleck perturbation theory (1991) (41)
- Microhydration of contact ion pairs in M(2+)OH(-)(H2O)(n=1-5) (M = Mg, Ca) clusters: spectral manifestations of a mobile proton defect in the first hydration shell. (2014) (41)
- The role of electrical anharmonicity in the association band in the water spectrum. (2014) (40)
- Argon predissociation spectroscopy of the OH-.H2O and Cl-.H2O complexes in the 1000-1900 cm(-1) region: intramolecular bending transitions and the search for the shared-proton fundamental in the hydroxide monohydrate. (2005) (40)
- Combined experimental/theoretical investigation of the He+ICl interactions. I. Rovibronic spectrum of He...ICl complexes in the ICl B-X, 3-0 region. (2004) (39)
- Hiding in Plain Sight: Unmasking the Diffuse Spectral Signatures of the Protonated N-Terminus in Isolated Dipeptides Cooled in a Cryogenic Ion Trap (2013) (39)
- Stabilization and rovibronic spectra of the T-shaped and linear ground-state conformers of a weakly bound rare-gas-homonuclear dihalogen complex: He...Br2. (2005) (38)
- Vibrationally induced proton transfer in F- (H2O) and F- (D2O). (2008) (38)
- Generating spectra from ground-state wave functions: unraveling anharmonic effects in the OH- x H2O vibrational predissociation spectrum. (2009) (37)
- Disentangling the Complex Vibrational Spectrum of the Protonated Water Trimer, H+(H2O)3, with Two-Color IR-IR Photodissociation of the Bare Ion and Anharmonic VSCF/VCI Theory. (2017) (36)
- Femtosecond study of Cu(H(2)O) dynamics. (2004) (35)
- Persistence of dual free internal rotation in NH4(+)(H2O)·Hen=0-3 ion-molecule complexes: expanding the case for quantum delocalization in He tagging. (2015) (35)
- Vibrational spectroscopy of the water-nitrate complex in the O-H stretching region. (2014) (34)
- Computational molecular spectroscopy (2021) (34)
- An Overview of the Changes in the 2015 ACS Guidelines for Bachelor’s Degree Programs (2015) (34)
- The structure of floppy molecules: the Rg·XH/D (Rg=Ar, Ne, and Kr, X=O or S) family of complexes (2000) (33)
- Adiabatic diffusion Monte Carlo approaches for studies of ground and excited state properties of van der Waals complexes (1999) (32)
- Dynamics of photoinduced reactions in hydrogen-bonded clusters: classical studies of the photodissociation of hydrogen chloride dimer (1993) (32)
- Rotation-vibration interactions in (HF) 2 . I. Using parallel supercomputers to calculate rotation-vibration energy levels (1999) (32)
- Evolution of structure in CH5 + and its deuterated analogues. (2006) (32)
- Deconstructing water’s diffuse OH stretching vibrational spectrum with cold clusters (2019) (31)
- Comparison of the local binding motifs in the imidazolium-based ionic liquids [EMIM][BF4] and [EMMIM][BF4] through cryogenic ion vibrational predissociation spectroscopy: Unraveling the roles of anharmonicity and intermolecular interactions. (2015) (30)
- Thermodynamics of water dimer dissociation in the primary hydration shell of the iodide ion with temperature-dependent vibrational predissociation spectroscopy. (2015) (30)
- Deuteration effects on the structure and infrared spectrum of CH5(+). (2006) (30)
- A theoretical and computational study of the anion, neutral, and cation Cu(H2O) complexes (2004) (30)
- Reactive scattering dynamics in atom+polyatomic systems: F+C2H6-->HF(v,J)+C2H5. (2005) (29)
- The dissociation dynamics of He...I 35Cl(B,v'=2,3) complexes with varying amounts of internal energy. (2005) (28)
- Why does argon bind to deuterium? Isotope effects and structures of Ar x H5O2(+) complexes. (2008) (28)
- Investigation of the structure and spectroscopy of H5(+) using diffusion Monte Carlo. (2013) (28)
- Beyond Badger's Rule: The Origins and Generality of the Structure-Spectra Relationship of Aqueous Hydrogen Bonds. (2019) (28)
- Isolation of site-specific anharmonicities of individual water molecules in the I - ·(H 2 O) 2 complex using tag-free, isotopomer selective IR-IR double resonance (2017) (26)
- Solvent-Mediated Electron Hopping: Long-Range Charge Transfer in IBr−(CO2) Photodissociation (2010) (26)
- A combined experimental/theoretical investigation of the He + ICl interactions: Determination of the binding energies of the T-shaped and linear He⋯I35Cl(X,v″= 0) conformers (2004) (25)
- Time-dependent quantum studies of the O(3P)+HCl(X 1Σ+) reaction (1999) (25)
- Tunneling effects in the unimolecular decay of (CH3)2COO Criegee intermediates to OH radical products. (2017) (25)
- Signatures of Large-Amplitude Vibrations in the Spectra of H5+ and D5+ (2012) (24)
- Diffuse Vibrational Signature of a Single Proton Embedded in the Oxalate Scaffold, HO2CCO2(-). (2015) (22)
- Origin of the diffuse vibrational signature of a cyclic intramolecular proton bond: Anharmonic analysis of protonated 1,8-disubstituted naphthalene ions. (2013) (22)
- Large-amplitude quantum mechanics in polyatomic hydrides. II. A particle-on-a-sphere model for XH(n) (n=4,5). (2005) (22)
- Quantum Monte Carlo studies of small B(H2)n clusters (1994) (21)
- Tag-Free and Isotopomer-Selective Vibrational Spectroscopy of the Cryogenically Cooled H9O4+ Cation with Two-Color, IR-IR Double-Resonance Photoexcitation: Isolating the Spectral Signature of a Single OH Group in the Hydronium Ion Core. (2018) (21)
- Infrared spectroscopy of the methanol cation and its methylene-oxonium isomer. (2015) (21)
- Effect of methyl rotation on the electronic spectrum of the methyl peroxy radical. (2007) (20)
- Diffusion Monte Carlo studies of low energy ro-vibrational states of CH5+ and its deuterated isotopologues (2011) (20)
- Characterizing excited states of CH5+ with diffusion Monte Carlo. (2008) (20)
- Diffusion Monte Carlo approaches for evaluating rotationally excited states of symmetric top molecules: application to H(3)O(+) and D(3)O(+). (2009) (19)
- Femtosecond dynamics of Cu(H(2)O)(2). (2005) (19)
- Determining potential‐energy surfaces from spectra: An iterative approach (1992) (19)
- Infrared spectroscopy of the mass 31 cation: protonated formaldehyde vs methoxy. (2012) (18)
- Reactions of oxygen atoms with van der Waals molecules in crossed molecular beams (1999) (18)
- Role of OH-stretch/torsion coupling and quantum yield effects in the first OH overtone spectrum of cis-cis HOONO. (2005) (17)
- Diffusion Monte Carlo in internal coordinates. (2013) (16)
- Cavity ringdown spectroscopy of the hydroxy-methyl-peroxy radical. (2013) (16)
- Modelling rotations, vibrations, and rovibrational couplings in astructural molecules – a case study based on the H+5 molecular ion (2015) (16)
- Fluorescence branching ratios and magnetic tuning of the visible spectrum of SrOH (2017) (16)
- New view of the ICN A continuum using photoelectron spectroscopy of ICN-. (2012) (15)
- ROTATION-VIBRATION INTERACTIONS IN (HF)2. II. ROTATION-VIBRATION INTERACTIONS IN LOW-LYING VIBRATIONAL STATES (1999) (15)
- Reactivity induced by complex formation: The reaction of O(3P) with HCl dimers (1997) (15)
- Multiple configuration quantum/classical treatments of reaction dynamics (2000) (15)
- Near-Infrared Spectroscopy and Anharmonic Theory of Protonated Water Clusters: Higher Elevations in the Hydrogen Bonding Landscape. (2018) (15)
- Photoelectron spectra of dihalomethyl anions: testing the limits of normal mode analysis. (2011) (15)
- High resolution electronic spectroscopy and an empirical potential energy surface for Ne⋅SH/D (1999) (15)
- CH Stretch Activation of CH3CHOO: Deep Tunneling to Hydroxyl Radical Products. (2019) (15)
- Solvent-mediated charge redistribution in photodissociation of IBr(-) and IBr(-)(CO2). (2011) (15)
- Characterization of the primary hydration shell of the hydroxide ion with H2 tagging vibrational spectroscopy of the OH- ⋅ (H2O)n=2,3 and OD- ⋅ (D2O)n=2,3 clusters. (2016) (14)
- Transition State Dynamics of Arn(ClHCl) (n = 0−5): Effects of Complex Formation on the Dynamics and Spectroscopy (2000) (14)
- High resolution electronic spectroscopy of Kr⋅OH/D and an empirical potential energy surface (1999) (14)
- Simultaneous evaluation of multiple rotationally excited states of H3(+), H3O(+), and CH5(+) using diffusion Monte Carlo. (2014) (14)
- Theoretical investigations of the lifetime of SH and SD (Ã 2Σ+) in M⋯SH/D (M=Ne,Ar,Kr) complexes (1998) (13)
- Potential energy surfaces and properties of ICN− and ICN (2013) (13)
- Unimolecular Rearrangement of trans-FONO to FNO2. A Possible Model System for Atmospheric Nitrate Formation† (2004) (13)
- An algebraic approach to calculating rotation-vibration spectra of polyatomic molecules (1992) (12)
- Reactions of oxygen atoms with van der Waals complexes: The effect of complex formation on the internal energy distribution in the products (1998) (12)
- Minimum Energy Path Diffusion Monte Carlo Approach for Investigating Anharmonic Quantum Effects: Applications to the CH3+ + H2 Reaction (2010) (12)
- Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: application to H2D+. (2013) (12)
- Rotation/Torsion Coupling in H5(+), D5(+), H4D(+), and HD4(+) Using Diffusion Monte Carlo. (2015) (12)
- Transition state dynamics of chemical reactions in clusters: A six‐dimensional study of Ar(ClHCl) (1995) (11)
- Photofragmentation dynamics of ICN(-)(CO2)n clusters following visible excitation. (2013) (11)
- Revision of the ACS Guidelines for Bachelor’s Degree Programs (2013) (11)
- Quantum/classical studies of photodissociation and reaction dynamics in clusters. (2001) (11)
- Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: applications to H3+ and H3O+. (2012) (10)
- Structure and spectroscopy of NenSH (Ã 2Σ+) complexes using adiabatic diffusion Monte Carlo (ADMC) (1999) (10)
- Probing the Relationship Between Large-Amplitude Motions in H5(+) and Proton Exchange Between H3(+) and H2. (2015) (10)
- Molecular parameters for 12C and 13C-methanol isotopomers with O-16, 17, and 18 (2000) (10)
- Spectroscopic characterization of peroxynitrous acid in cis-perp configurations. (2006) (10)
- Time resolved solvent rearrangement dynamics. (2004) (10)
- Dynamic mapping of CN rotation following photoexcitation of ICN-. (2012) (10)
- Curious properties of the Morse oscillator (2011) (9)
- Theoretical investigations of mode mixing in vibrationally excited states of CH5+. (2009) (9)
- Time-dependent studies of reaction dynamics: a test of mixed quantum/classical time-dependent self-consistent field approximations (1999) (9)
- Photoelectron spectra of Ar(n).(IHI)- (n = 0-6, 12, 20), a theoretical study. (2006) (9)
- Isotopic effects on the dynamics of the CH3(+) + H2 → CH5(+) → CH3(+) + H2 reaction. (2012) (9)
- Disentangling the Complex Vibrational Mechanics of the Protonated Water Trimer by Rational Control of Its Hydrogen Bonds. (2019) (9)
- Structural characterization of electron-induced proton transfer in the formic acid dimer anion, (HCOOH)2-, with vibrational and photoelectron spectroscopies. (2012) (9)
- Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH3OOH and HOOH. (2017) (9)
- The role of torsion/torsion coupling in the vibrational spectrum of cis-cis HOONO. (2010) (9)
- Studying Properties of Floppy Molecules Using Diffusion Monte Carlo (2012) (9)
- Using Diffusion Monte Carlo to Evaluate the Initial Conditions for Classical Studies of the Photodissociation Dynamics of HCl Dimer (2003) (9)
- Quantum Monte Carlo studies of the structure and spectroscopy of NenOH (Ã 2Σ+, n=1–4) van der Waals complexes (2001) (9)
- Theoretical studies of the vibrational states of Ne2SH and Ne2OH(Ã 2Σ (2002) (8)
- The role of large-amplitude motions in the spectroscopy and dynamics of H₅⁺. (2014) (8)
- Photoelectron spectroscopy of the hydroxymethoxide anion, H2C(OH)O. (2016) (8)
- Dynamics of small, ultraviolet-excited ICN- cluster anions. (2013) (8)
- An Efficient Approach for Studies of Water Clusters Using Diffusion Monte Carlo. (2019) (8)
- Diffusion quantum Monte Carlo on multiple-potential surfaces (2000) (8)
- Spectroscopic Signatures of Mode-Dependent Tunnel Splitting in the Iodide-Water Binary Complex. (2020) (8)
- Infrared spectroscopy and theory of the formaldehyde cation and its hydroxymethylene isomer. (2016) (7)
- An empirical potential energy surface for the Ne-OH/D complexes (1999) (7)
- Isolating the Contributions of Specific Network Sites to the Diffuse Vibrational Spectrum of Interfacial Water with Isotopomer-Selective Spectroscopy of Cold Clusters. (2020) (7)
- Manifestations of Torsion-CH Stretch Coupling in the Infrared Spectrum of CH3OO. (2016) (7)
- Editorial for January 2016 for JPC A/B/C. (2014) (6)
- Sub-Doppler infrared spectroscopy of CH2D radical in a slit supersonic jet: isotopic symmetry breaking in the CH stretching manifold. (2012) (6)
- Photoelectron Spectroscopy of cis-Nitrous Acid Anion (cis-HONO(-)). (2016) (6)
- Confronting Racism in Chemistry Journals. (2020) (6)
- Nonadiabatic photofragmentation dynamics of BrCN-. (2014) (6)
- Photoelectron spectroscopy of HC4N-. (2011) (6)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (6)
- The Journal of Physical Chemistry. Editorial for January 2012 for JPC A/B/C. (2012) (6)
- Classical treatments of quantum mechanical effects in collisions of weakly bound complexes (2005) (6)
- The Role of Tunneling in the Spectra of H5+ and D5+ up to 7300 cm-1. (2020) (5)
- Editorial for January 2016 for JPC A/B/C. (2013) (5)
- GPU-Accelerated Neural Network Potential Energy Surfaces for Diffusion Monte Carlo. (2021) (5)
- Time-dependent wave packet studies on the Cl + HCl hydrogen exchange reaction. (2006) (5)
- Femtosecond dynamics of Cu(CD3OD). (2007) (5)
- "New Physical Insights" in Theoretical and Computational Studies. (2017) (5)
- Fast Near Ab Initio Potential Energy Surfaces Using Machine Learning. (2022) (5)
- Transition state dynamics of X + HX reactions using the time-dependent self-consistent field approximation (1995) (5)
- Multiple-configuration quantum/classical studies of the photodissociation dynamics of H2O (2003) (5)
- Transition state dynamics of Ar(n).(IHI) (n = 0-20). (2005) (5)
- Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. II. The OH-stretching fundamental and overtone spectra. (2021) (5)
- Theoretical investigations of the time-resolved photodissociation dynamics of IBr(-). (2010) (5)
- Probing the dependence of long-range, four-atom interactions on intermolecular orientation: 3. Hydrogen and iodine. (2011) (5)
- Quantum/classical studies of O(3P)+Ar⋅HCl collision dynamics (2003) (4)
- Coupling of torsion and OH-stretching in tert-butyl hydroperoxide. I. The cold and warm first OH-stretching overtone spectrum. (2021) (4)
- Comment on "Nature of the chemical bond in protonated methane". (2007) (4)
- Investigating the Adiabatic Approximation in Quantum Mechanics through the Analysis of Two Coupled Harmonic Oscillators (2001) (4)
- Modeling the CH Stretch/Torsion/Rotation Couplings in Methyl Peroxy (CH3OO). (2017) (4)
- Evaluation of Matrix Elements Using Diffusion Monte Carlo Wave Functions. (2019) (4)
- Diffusion Monte Carlo Studies on the Detection of Structural Changes in the Water Hexamer Upon Isotopic Substitution. (2020) (4)
- Spectral signatures of proton delocalization in H+(H2O)n=1-4 ions. (2018) (4)
- Electronic and mechanical anharmonicities in the vibrational spectra of the H-bonded, cryogenically cooled X- · HOCl (X=Cl, Br, I) complexes: Characterization of the strong anionic H-bond to an acidic OH group. (2022) (4)
- Molecules in confinement in clusters, quantum solvents and matrices: general discussion. (2018) (4)
- Correction to “Spectroscopic Study of the Ion–Radical H-Bond in H4O2+” (2012) (4)
- Editorial for January 2019 for JPC A/B/C. (2011) (4)
- Probing the dependence of long-range, four-atom interactions on intermolecular orientation: 2. Molecular deuterium and iodine monochloride. (2008) (4)
- Probing the dependence of long-range, four-atom interactions on intermolecular orientation. 1. Molecular hydrogen and iodine monochloride. (2007) (4)
- Calculating rovibrationally excited states of H2D+ and HD2+ by combination of fixed node and multi-state rotational diffusion Monte Carlo (2016) (4)
- Guided Diffusion Monte Carlo: A Method for Studying Molecules and Ions That Display Large Amplitude Vibrational Motions. (2020) (3)
- Viewpoint: New Physical Insights from Kinetics Studies. (2019) (3)
- Confronting Racism in Chemistry Journals. (2020) (3)
- Exploring the Origins of Spectral Signatures of Strong Hydrogen Bonding in Protonated Water Clusters. (2022) (3)
- Confronting Racism in Chemistry Journals. (2020) (3)
- Confronting Racism in Chemistry Journals. (2020) (3)
- Statistical Analysis of the Effect of Deuteration on Quantum Delocalization in CH5. (2019) (3)
- Infrared Stark and Zeeman spectroscopy of OH-CO: The entrance channel complex along the OH + CO → trans-HOCO reaction pathway. (2016) (3)
- Using Diffusion Monte Carlo Wave Functions to Analyze the Vibrational Spectra of H7O3+ and H9O4. (2021) (3)
- Confronting Racism in Chemistry Journals. (2020) (2)
- ROTATION–VIBRATION MIXING OF HIGHLY EXCITED STATES (1995) (2)
- Theoretical studies of rotational and spin orbit predissociation of the Ne·XH (X̃ 2Π, X = O,S) van der Waals complexes. (2002) (2)
- Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry A. (2020) (2)
- Vibrationally induced charge transfer in a bimolecular model complex in vacuo. (2013) (2)
- Update to Our Reader, Reviewer, and Author Communities—April 2020 (2020) (2)
- Experimental and Theoretical Studies of the F• + H-F Transition-State Region by Photodetachment of [F-H-F]. (2017) (2)
- Perturbative Studies of the Vibrations of Polyatomic Molecules Using Curvilinear Coordinates (1991) (2)
- Confronting Racism in Chemistry Journals. (2020) (2)
- Preparation and Characterization of the Halogen-Bonding Motif in the Isolated Cl-·IOH Complex with Cryogenic Ion Vibrational Spectroscopy. (2022) (2)
- Effects of complex formation on reactions of oxygen with HCl and Ar–HCl (1998) (2)
- A theoretical and computational study of the anion, neutral, and cation Cu(H(2)O) complexes. (2004) (1)
- Structure and spectroscopy of Ne nSH „ Ã 2 S 1 ... complexes using adiabatic diffusion (1999) (1)
- ACS Guidelines For Bachelor’s Degree Programs: Revisions Near Completion (2015) (1)
- Vibrational Signatures of HNO3 Acidity When Complexed with Microhydrated Alkali Metal Ions, M+·(HNO3)(H2O)n=5 (M = Li, K, Na, Rb, Cs), at 20 K. (2022) (1)
- Young Scientists Virtual Special Issue. (2019) (1)
- Photoelectron spectroscopy of HC 4 N − (2012) (1)
- Surface hopping study of the photodissociation dynamics of ICN− and BrCN− (2018) (1)
- Editorial for January 2017 for JPC A/B/C. (2013) (1)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (1)
- UNEXPECTED PROPERTIES OF THE MORSE OSCILLATOR (2011) (1)
- SOLVENT-MEDIATED ELECTRON LEAPFROGGING: CHARGE TRANSFER IN IBr$^-$(CO$_2$) PHOTODISSOCIATION (2010) (1)
- Solvation effects on photochemical reactions in weakly bound clusters (2008) (1)
- New Subsections for JPC A/B/C and JPC Letters. (2012) (1)
- Controlling internal degrees: general discussion. (2019) (1)
- Tribute to W. Carl Lineberger (2010) (1)
- Correction to "Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH3OOH and HOOH". (2018) (1)
- Quantum/classical studies of vibrationally mediated photodissociation of Ar x H2O. (2008) (1)
- Molecules in confinement in liquid solvents: general discussion. (2018) (1)
- EXCITED STATES OF CH$_5^+$ BY DIFFUSION MONTE CARLO (2008) (1)
- Quantum Mechanical Simulation of Vibration-Torsion-Rotation Levels of Methanol (2001) (1)
- Confronting Racism in Chemistry Journals. (2020) (1)
- High-resolution vibrational predissociation spectroscopy of I− · H2O by single-mode CW infrared excitation in a 3D cryogenic ion trap (2023) (1)
- INVESTIGATION OF LARGE-AMPLITUDE MOTIONS OF H$_5^+$ AND THE DYNAMICS OF THE PROTON TRANSFER BETWEEN H$_3^+$ and H$_2$ (2013) (1)
- Confronting Racism in Chemistry Journals. (2020) (1)
- Virtual Issue on New Tools and Methods in Physical Chemistry Research. (2020) (1)
- Virtual Issue Highlighting Articles That Describe New Methodologies Soon To Be Considered for Publication in JPC. (2018) (1)
- Considering "Physical Insights" in Theoretical Studies of Gas Phase Processes. (2017) (1)
- The JPC Periodic Table. (2019) (1)
- High-Resolution Photoelectron Spectroscopy of Vibrationally Excited Vinoxide Anions. (2023) (1)
- Infrared spectroscopic signature of a hydroperoxyalkyl radical (•QOOH). (2021) (1)
- Precise characterisation of isolated molecules: general discussion. (2018) (1)
- Editorial for January 2018 for JPC A/B/C. (2018) (1)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (1)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (1)
- Young Scientists Virtual Special Issue. (2019) (1)
- Confronting Racism in Chemistry Journals. (2020) (1)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Viewpoint on ACS PHYS Division Sponsored Virtual Seminars. (2021) (0)
- Preface to the Robert Benny Gerber Festschrift (2009) (0)
- Isotope Effects on Ground and Excited States of Ethyl Cation, H+(C2H4). (2023) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- INITIATING THE HYDROGEN EXCHANGE REACTION Cl($^2$P) + HCl $\rightarrow$ ClH + Cl($^2$P) BY VIBRATIONAL EXCITATION OF THE MOLECULE (2006) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- CHARACTERIZATION OF PEROXYNITROUS ACID (HOONO) IN CIS-PERP CONFIGURATIONS (2006) (0)
- HIGH RESOLUTION FOURIER TRANSFORM FAR-INFRARED SPECTROSCOPY OF $CH_{3}OD$: GLOBAL FIT OF TORSION-ROTATIONAL TRANSITIONS IN THE FIRST THREE TORSIONAL STATES (2000) (0)
- EXTENSIONS OF FIXED-NODE DIFFUSION MONTE CARLO TO THE STUDY OF THE ROTATIONALLY EXCITED STATES OF H$_2$D$^+$ (2012) (0)
- EXPERIMENTAL DETERMINATION OF GROUND STATE BINDING ENERGIES IN HETERO- AND HOMONU-CLEAR RARE GAS-DIHALOGEN COMPLEXES (2004) (0)
- [Not Available]. (2012) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- HYDROGEN BONDING EFFECTS ON THE INFRARED INTENSITIES OF HALIDE-WATER COMPLEXES (2006) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Editorial for January 2019 for JPC A/B/C. (2019) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Quantum dynamics of isolated molecules: general discussion. (2018) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Probing Rotationally Excited States of CH_{5}^{+} with Diffusion Monte Carlo (2009) (0)
- Character of the OH Bend-Stretch Combination Band in the Vibrational Spectra of the "Magic" Number H3O+(H2O)20 and D3O+(D2O)20 Cluster Ions. (2022) (0)
- Editorial for January 2018 for JPC A/B/C. (2011) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- SPECTROSCOPIC IMPLICATIONS OF THE "STRUCTURE" OF HELIUM DIHALOGEN COMPLEXES (2005) (0)
- TUNNELING IN A REDUCED DIMENSIONAL MODEL OF H5+ (2020) (0)
- Editorial for January 2015 for JPC A/B/C. (2015) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- SURPRISING COMPLEXITY OF A SMALL MOLECULE: PHOTOFRAGMENTATION DYNAMICS OF ICN, ICN$\cdot$Ar$_n$ and ICN$\cdot$(CO$_2$)$_n$ (2012) (0)
- Update to Our Reader, Reviewer, and Author Communities—April 2020 (2020) (0)
- BOUND ROVIBRATIONAL ENERGY LEVELS FOR THE NeXH/D $(\tilde{X}^{2}\Pi, v_{XH} =0, X = O,S)$ VAN DER WAALS COMPLEXES (2000) (0)
- Nonequilibrium Molecular Energy Coupling and Conversion Mechanisms (2016) (0)
- DIFFUSION MONTE CARLO USING MACHINE LEARNING POTENTIAL ENERGY SURFACES (2020) (0)
- INVESTIGATION OF COUPLING BETWEEN OH STRETCHING AND H$_2$O OUT-OF-PLANE BENDING MODES IN OH-H$_2$O (2009) (0)
- CALCULATING ANHARMONIC VIBRATIONAL STATES WITHOUT A PRE-EXISTING \\ POTENTIAL ENERGY SURFACE (2010) (0)
- COMPARISONS OF THE STRUCTURE AND SPECTROSCOPY OF THE $M \cdot XH(A^{2}\Sigma^{+}) (M=Ne, Ar, Kr; X = O,S)$ COMPLEXES. (1999) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Direct Measurement of the Unimolecular Decay Rate of Criegee Intermediates to OH Products. (2016) (0)
- Confronting Racism in Chemistry Journals (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- THEORETICAL STUDIES OF THE ROLE OF VIBRATIONAL EXCITATION ON THE DYNAMICS OF THE HYDROGEN-TRANSFER REACTION OF F($^2$P) + HCl {$\rightarrow$} FH + Cl({$^2$}P) (2009) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- ORIGINS OF IR INTENSITY IN OVERTONES AND COMBINATION BANDS IN HYDROGEN BONDED SYSTEMS (2010) (0)
- Cold Gas-Phase Complexes Determination of Noncovalent Docking by Infrared Spectroscopy of (2014) (0)
- Spectroscopic Manifestation of Vibrationally-Mediated Structure Change in the Isolated Formate Monohydrate (2016) (0)
- EXAMINATION OF H$_2$CO--X$^+$ AND NH$_2$CH$_2$COOH--X$^+$ COMPLEXES [X$^+$ = Li$^+$, Na$^+$, K$^+$] USING ELECTRONIC STRUCTURE THEORY (2010) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- DIFFUSION MONTE CARLO STUDIES OF THE GROUND-STATE STRUCTURE AND ENERGETICS OF H$_5^+$ AND ITS ISOTOLOGUES (2012) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- THEORETICAL STUDIES OF PHOTODISSOCIATION DYNAMICS OF BRCN (2013) (0)
- DIFFUSION MONTE CARLO STUDIES OF THE ISOTOPIC SUBSTITUTION IN WATER HEXAMER (2020) (0)
- UNRAVELING THE INTENSITY PATTERNS IN THE INFRARED SPECTRA OF X$^-$($^{1,2}$HO$^{1,2}$H) [X=F,Cl] (2007) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- THE EFFECT OF TORSION - VIBRATION COUPLINGS ON THE ν9 AND ν1 BANDS IN THE CH3OO· RADICAL (2017) (0)
- TRANSITION STATE DYNAMICS OF $Ar_{n}(CIHCl), (n= 0,\ldots,5)$ (1998) (0)
- Update to Our Reader, Reviewer, and Author Communities - April 2020 (2020) (0)
- MIXED QUANTUM/CLASSICAL APPROACH TO PHOTODISSOCIATION OF $H_{2}O$ AND $Ar - H_{2}O$ (2003) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Semi-Classical Dynamics Studies of the Photodissociation of ICN^{-} and BrCN^{-} (2017) (0)
- Simultaneous evaluation of multiple rotationally excited states of floppy molecules using diffusion monte carlo (2014) (0)
- Perturbative treatments of Highly Excited Rotation-Vibration States using Curvilinear Coordinates (1991) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- MODELING VIBRATIONAL STRUCTURE USING HARMONICALLY-COUPLED MORSE OSCILLATORS: A GLOBAL DESCRIPTION OF THE C-H STRETCHES IN METHYL RADICAL AND ITS DEUTERATED ISOTOPOMERS (2011) (0)
- Theoretical investigation of anharmonic effects observed in the infrared spectra of the formaldehyde cation and its hydroxymethylene isomer (2016) (0)
- THEORETICAL INVESTIGATION OF ROVIBRATIONAL SPECTRA OF $(HF)_{2}$ AND ITS ISOTOPIC SUBSTITUTES --- CENTRIFUGAL DISTORTION, TUNNELING SPLITTING (1998) (0)
- VIBRATIONAL ANYLASIS ON I(H${_2}$O)${^-}$ and I(D${_2}$O)${^-}$ SPECTRA (2013) (0)
- DETERMINING THE ROLE OF VIBRATIONAL EXCITATION ON THE DYNAMICS OF THE HYDROGEN-TRANSFER REACTION OF F($^2$P) + HCl {$\rightarrow$} FH + Cl({$^2$}P) (2008) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- THEORETICAL INVESTIGATION OF LARGE AMPLITUDE TORSIONAL MOTION IN THE METHYL PEROXY RADICAL (2007) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities—April 2020 (2020) (0)
- A virtual special issue “ Spectroscopy and Dynamics of Medium-Sized Molecules and Clusters : Theory , Experiment , and Applications ” (2015) (0)
- DECODING THE EFFECTS OF LARGE AMPLITUDE VIBRATIONAL MOTIONS IN SPECTRA (2013) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Editorial for January 2015 for JPC A/B/C. (2013) (0)
- Dynamics of Photoinduced Reactions in van der Waals and in Hydrogen‐Bonded Clusters (2008) (0)
- AN ADIABATIC MODEL OF THE BENDING DYNAMICS OF ACETYLENE (1996) (0)
- UNDERSTANDING THE INTERMOLECULAR BENDING VIBRATIONS OF ($^{1,2}$H$_2$O)X$^-$ [X=F, Cl, Br, I] (2008) (0)
- TRANSITION STATE SPECTROSCOPY AND DYNAMICS OF $Ar_{n}(CIHCl), (n = 0 - 5)$ (1999) (0)
- DISSOCIATION DYNAMICS OF THE IBr$^{-}$(CO$_{2}$) VAN DER WAALS CLUSTER: A DIRECT VIEW OF SOLVENT-DRIVEN NON-ADIABATIC TRANSITIONS (2009) (0)
- PROGRESS TOWARDS THE ACCURATE CALCULATION OF ANHARMONIC VIBRATIONAL STATES OF FLUXIONAL MOLECULES AND CLUSTERS WITHOUT A POTENTIAL ENERGY SURFACE (2011) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Impact of energetically accessible proton permutations in the spectroscopy and dynamics of h5 (2016) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- BOUND ROTATION---VIBRATION STATES FOR THE $Ne_{2}XH (\tilde{A}^{2}\Sigma, u_{HX} = 0, X=O,S)$ VAN DER WAALS COMPLEXES (2001) (0)
- Editorial Confronting Racism in Chemistry Journals (2020) (0)
- Developments in Theoretical Chemistry. (2014) (0)
- Developments in theoretical chemistry. (2014) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- PHOTOELECTRON SPECTROSCOPY OF ICN$^{-}$: CHARACTERIZATION OF A CONICAL INTERSECTION IN ICN (2011) (0)
- SPECIAL ISSUE IN HONOUR OF NICHOLAS C. HANDY Modelling rotations, vibrations, and rovibrational couplings in astructural molecules - a case study based on the H + molecular ion (2015) (0)
- Vibrational Excited States by Diffusion Monte Carlo (2007) (0)
- Editorial for January 2017 for JPC A/B/C. (2017) (0)
- THEORETICAL INVESTIGATION OF A NONADIABATIC MECHANISM FOR ALKYLPERNITRITE DECOMPOSITION (2004) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- SPECTROSCOPIC IMPLICATIONS OF A NEW THREE DIMENSIONAL MODEL OF THE OH STRETCH/TORSION POTENTIAL FOR HOONO AND DOONO (2008) (0)
- Sheps ) Photodissociation 2 ( CO − IBr Solvent-Mediated Electron Hopping : Long-Range Charge Transfer in (2014) (0)
- ANALYSIS OF CO-STRECHING-TORSION-ROTATIONAL TRANSITIONS OF METHANOL (1999) (0)
- THE ROLE OF VIBRATIONAL EXCITATION ON THE DYNAMICS OF THE F($^2$P) + HCl {$\rightarrow$} FH + Cl({$^2$}P) HYDROGEN-TRANSFER REACTION (2010) (0)
- Theoretical Investigation Of The Uv-vis Photodissociation Dynamics Of Arn(brcn−) (2014) (0)
- THEORETICAL STUDIES OF THE $\tilde{B} \leftarrow \tilde{X}$ TRANSITIONS IN $He\cdot ICl$ AND $He\cdot Br_{2}$ (2004) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- WATER NETWORK-DEPENDENT CHARGE TRANSLOCATION IN THE NO$^+$ $\cdot$ (H$_2$O)$_3$ CLUSTERS: AN OLD RIDDLE OF THE IONOSPHERE BRINGS A MICROSCOPIC GROTTHUSS MECHANISM DOWN TO EARTH (2009) (0)
- DIFFUSION MONTE CARLO CALCULATIONS OF MINIMUM ENERGY PATHS FOR THE ISOTOPIC VARIANTS OF THE CH$_{3}^{+}$ + H$_{2}$ $\leftrightarrow$ CH$_{5}^{+}$ $\leftrightarrow$ CH$_{3}^{+}$ + H$_{2}$ REACTION (2010) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- USING FIXED-NODE DIFFUSION MONTE CARLO TO PROBE ROTATION-VIBRATION COUPLING IN HIGHLY FLUXIONAL ASYMMETRIC TOP MOLECULES (2012) (0)
- UNRAVELING SPECTRAL SIGNATURES OF ION/WATER INTERACTIONS (2007) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- USING VIBRATIONAL EXCITATION TO STUDY THE DYNAMICS OF THE HYDROGEN-TRANSFER REACTION OF F($^2$P) + HCl {$\rightarrow$} FH + Cl({$^2$}P) (2007) (0)
- TORSION - VIBRATION COUPLINGS IN THE CH3OO· RADICAL (2016) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- The role of electrical anharmonicity in determining intensity in the 2100 cm-1 region of the water spectrum (2014) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- EXTENDING DIFFUSION MONTE CARLO TO INTERNAL COORDINATES (2013) (0)
- THEORETICAL INVESTIGATIONS OF THE LIFETIME OF SH $(A^{2}\Sigma^{+})$in $Ar\cdot $SH and $Kr\cdot $SH (1997) (0)
- Torsional Structure in the tilde{A}-tilde{X} Spectrum of the CH{_3}O_2 and CH_2XO_2 Radicals (2015) (0)
- Observation of Slow Eigen-Zundel Interconversion in H+(H2O)6 Clusters upon Isomer-Selective Vibrational Excitation and Buffer Gas Cooling in a Cryogenic Ion Trap. (2023) (0)
- COMPUTATIONAL FRAMEWORK FOR STUDYING H-BONDING IN THE OH STRETCH REGION OF VIBRATIONAL SPECTRA (2013) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- New Sections for JPC A/ B/ C. (2018) (0)
- ANALYSIS OF HYDROGEN BONDING IN THE OH STRETCH REGION OF PROTONATED WATER CLUSTERS (2015) (0)
- COMPUTATIONAL STUDIES OF THE Cl($^2$P) + HCl $\rightarrow$ ClH + Cl($^2$P) HYDROGEN EXCHANGE REACTION (2005) (0)
- COMPARISON OF SELF-CONSISTENT FIELD TREATMENTS OF KINETIC COUPLINGS IN CALCULATIONS ON POLYATOMIC MOLECULES (1998) (0)
- PROBING ROTATIONALLY EXCITED STATES OF CH$_{\mathrm{5}}^{\mathrm{+}}$ WITH DIFFUSION MONTE CARLO (2009) (0)
- Relph Water Activation in HONO Formation How the Shape of an H-Bonded Network Controls Proton-Coupled (2013) (0)
- SPECTROSCOPIC SIGNATURES OF LARGE AMPLITUDE VIBRATIONAL MOTIONS IN H$_5$O$_2^+$ AND H$_3$O$_2^-$ (2005) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- THEORETICAL STUDIES OF TIME-RESOLVED PHOTOELECTRON SPECTRA OF IBr$^-$ (2009) (0)
- ROTATIONAL AND SPIN-ORBIT PREDISSOCIATION OF THE $Ne\cdot XH (\tilde{X}^{2} \Pi, X=O,S)$ VAN DER WAALS COMPLEXES (2002) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- USING DIFFUSION MONTE CARLO TO PROBE THE ROTATIONALLY EXCITED STATES OF H$_3^+$ AND ITS ISOTOPOLOGUES (2011) (0)
- ANALYSIS OF THE SPECTRUM OF CH3OOH USING SECOND-ORDER PERTURBATION THEORY (2016) (0)
- PROBING THE MOLECULAR DYNAMICS OF A Cu(CD$_3$OD) CLUSTER WITH PHOTODETACHMENT-PHOTOIONIZATION SPECTROSCOPY (2006) (0)
- Understanding Complex Spectral Signatures of Embedded Excess Protons in Molecular Scaffolds with Third Order Corrections to the Harmonic Potential Surface (2013) (0)
- UNDERSTANDING UO$_{2}^{+}$ BY MODELING ELECTRONIC AND VIBRATIONAL SPECTROSCOPY (2008) (0)
- The JPC Periodic Table. (2019) (0)
- New Sections for JPC A/ B/ C. (2018) (0)
- EFRC feature articles (2014) (0)
- Studying Rotation/torsion Coupling in H 5 ^+ Using Diffusion Monte Carlo (2015) (0)
- NEGATIVE ION PHOTOELECTRON SPECTRA OF HALOMETHYL ANIONS (2009) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Workshop on Mathematical Methods in Quantum Molecular Dynamics 28 April – 3 May 2013 MEALS (2013) (0)
- Correction to "An Efficient Approach for Studies of Water Clusters Using Diffusion Monte Carlo". (2019) (0)
- Spectral signatures of large amplitude vibrations in solvated ions. What do the intensities tell us about structure, bonding and dynamics? (2015) (0)
- EXPLORING THE NATURE OF THE ADIABATIC APPROXIMATION IN STUDIES OF PROTONATED WATER CLUSTERS (2020) (0)
- TIME-RESOLVED PHOTOELECTRON STUDIES OF IBr$^-$: A CLASSICAL AND QUANTUM TUG-OF-WAR (2010) (0)
- THEORETICAL STUDIES OF THE VIBRATIONAL ENERGY LEVEL PATTERNS IN $Ne_{2} SH$ AND $Ne_{2}OH (\tilde{A}^{2}\Sigma^{+})$ (2002) (0)
- 2012 MOLECULAR AND IONIC CLUSTERS GORDON RESEARCH CONFERENCE, JANUARY 29 - FEBRUARY 3, 2012 (2012) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Preface to the Terry A. Miller Festschrift. (2013) (0)
- Non-adiabatic dynamics of ICN–(AR)N and BRCN–(AR)N (2016) (0)
- EXPLORING ROTATION-VIBRATION COUPLING IN HIGHLY FLUXIONAL MOLECULES USING \\ SURFACE HOPPING DIFFUSION MONTE CARLO (2012) (0)
- NEAR-INFRARED SPECTROSCOPY OF SMALL PROTONATED WATER CLUSTERS (2017) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Confronting Racism in Chemistry Journals (2020) (0)
- The JPC Periodic Table. (2019) (0)
- PHYSICAL INTERPRETATION OF TORSION-ROTATIONAL PARAMETERS IN METHANOL AND ITS ISOTOPOMERS: COMPARISON OF GLOBAL FIT AND CENTRIFUGAL CALCULATION RESULTS (2000) (0)
- Going large(r): general discussion. (2019) (0)
- New subsections for JPC A/B/C and JPC letters. (2012) (0)
- Exploring the relationships between anharmonicity and OH bond lengths in hydrogen bonded complexes (2016) (0)
- PHOTODISSOCIATION DYNAMICS OF A TRIATOMIC PSEUDO-DIHALIDE: ABSORPTION CROSS SECTION AND DYNAMICS OF SOLVATED ICN$^{-}$ (2011) (0)
- EXPERIMENTAL DETERMINATION OF THE BINDING ENERGIES OF THE T-SHAPED AND LINEAR ISOMERS OF THE $Ne\cdots ICl(X,\nu^{\prime\prime} = 0)$ VAN DER WAALS COMPLEX (2004) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Revising The ACS Guidelines For Bachelor’s Degree Programs (2013) (0)
- PHOTOFRAGMENTATION DYNAMICS OF $\chem{ICN^{-}(CO_{2})_{n}}$ (2009) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- OH-STRETCH/TORSION COUPLING AND QUANTUM YIELD EFFECTS IN THE $2\nu_{\rm OH}$ REGION OF THE CIS-CIS HOONO SPECTRUM (2005) (0)
- USING DIFFUSION MONTE CARLO TO PROBE ROTATIONAL EXCITED STATES (2009) (0)
- Role of Torsion-Vibration Coupling in the Overtone Spectrum and Vibrationally Mediated Photochemistry of CH 3 OOH and HOOH Published as part of The Journal of Physical Chemistry virtual special issue “ Veronica Vaida Festschrift ” (2017) (0)
- Laboratory Measurement of the Gas-Phase Rate Constant for Formation of Nitric Acid from the Reaction of OH and NO2 (2007) (0)
- THEORETICAL STUDIES OF THE PHOTOELECTRON SPECTROSCOPY OF Ar$_n\cdot$(IHI)$^-$ ($n=0-20$) (2005) (0)
- Employing Diffusion Monte Carlo in the Calculation of Minimized Energy Paths of the CH3+ + H2 leftrightarrow CH5+ leftrightarrow CH3+ + H2 Reaction and its Isotopic Variants (2011) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- THE 2$\nu_{\rm OH}$ OVERTONE SPECTRUM OF HOONO (2005) (0)
- SPECTROSCOPIC COMPARISONS OF HELIUM-DIHALOGEN COMPLEXES: WHAT DICTATES THE SPECTRAL STRUCTURE? (2006) (0)
- ROLES OF LARGE AMPLITUDE MOTIONS IN THE DYNAMICS OF THE PROTON TRANSFER REACTION H3+ + H2→ H5+→ H3+ + H2 (2014) (0)
- GENERATING SPECTRA FROM GROUND STATE WAVE FUNCTIONS: UNRAVELING ANHARMONIC EFFECTS IN THE OH$^-\cdot$ H$_2$O AND H$_5$O$_2^+$ VIBRATIONAL PREDISSOCIATION SPECTRA (2009) (0)
- GUIDED DIFFUSION MONTE CARLO BASED ON BONDING ENVIRONMENT: AN EFFICIENT APPROACH FOR STUDYING MOLECULAR VIBRATIONS IN PATHOLOGICAL SYSTEMS (2020) (0)
- Virtual Issue in Honor of the 150th Birthday of Marie Curie: Highlighting Female Physical Chemists. (2017) (0)
- STUDIES OF VIBRATIONAL EXCITATIONS OF CH$_5$$^{+}$ BY DIFFUSION MONTE CARLO TECHNIQUES (2007) (0)
- 2007 Conference on the Dynamics of Molecular Collisions (2007) (0)
- Femtosecond study of CuÑH 2 OÖ dynamics (2004) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- DOES $CH_{5}{^{+}}$ HAVE A STRUCTURE? (2004) (0)
- PROBING THE REACTION PATH OF CH$_{3}^{+}$ + H$_{2}$ $\rightarrow$ CH$_{5}^{+}$ $\rightarrow$ CH$_{3}^{+}$ + H$_{2}$ AND ISOTOPOLOGUES (2009) (0)
- USING DIFFUSION MONTE CARLO TO GENERATE VIBRATIONAL NORMAL MODES AND SPECTRA: PROTONATED WATER CLUSTERS (2020) (0)
- Update to Our Reader, Reviewer, and Author Communities-April 2020. (2020) (0)
- Viewpoint on ACS PHYS Division Sponsored Virtual Seminars. (2021) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- THEORETICAL INVESTIGATION OF THE UV/VIS PHOTODISSOCIATION DYNAMICS OF ICN−(Ar)n and BrCN−(Ar)n (2015) (0)
- Torsion - Vibration Coupling In The Methyl Rotor Systems (2014) (0)
- Confronting Racism in Chemistry Journals (2020) (0)
- MODELING THE TORSION-STRETCH COUPLING IN THE OH SPECTRUM OF cis-cis HOONO USING A THREE DIMENSIONAL POTENTIAL SURFACE (2007) (0)
- Exotic systems: general discussion. (2019) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Confronting Racism in Chemistry Journals. (2020) (0)
- Editorial: New deputy editors for the journal of physical chemistry A, B, and C (2011) (0)
- ADIABATIC DIFFUSION MONTE CARLO STUDIES FOR THE $Ne_{2}SH/D (^{2}\Sigma^{+}, v = 0)$ VAN DER WAALS COMPLEXES (1999) (0)
- Microfluidic Droplets One-Step Fabrication of Supramolecular Microcapsules from (2012) (0)
- SPECTRAL SIGNATURES OF LARGE AMPLITUDE MOTIONS IN CH$_5^+$ (2006) (0)
- Pushing resolution in frequency and time: general discussion. (2019) (0)
- Studies of energetics and spectroscopy of water clusters: size evolution and connections to the spectrum of liquid water (2015) (0)
- Diffusion Monte Carlo Approaches for studying rotational and vibrational motions of highly anharmonic systems (2013) (0)
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