James T. Muckerman
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Chemistry
James T. Muckerman's Degrees
- PhD Chemistry University of California, Berkeley
- Masters Chemistry University of California, Berkeley
- Bachelors Chemistry Stanford University
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(Suggest an Edit or Addition)James T. Muckerman'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
- Hydrogen-evolution catalysts based on non-noble metal nickel-molybdenum nitride nanosheets. (2012) (1076)
- CO2 Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO2 Reduction. (2015) (988)
- Recent developments in transition metal carbides and nitrides as hydrogen evolution electrocatalysts. (2013) (911)
- Highly active and durable nanostructured molybdenum carbide electrocatalysts for hydrogen production (2013) (789)
- Reversible hydrogen storage using CO2 and a proton-switchable iridium catalyst in aqueous media under mild temperatures and pressures (2012) (729)
- Hydrogen oxidation and production using nickel-based molecular catalysts with positioned proton relays. (2006) (447)
- Thermodynamics and kinetics of CO2, CO, and H+ binding to the metal centre of CO2 reduction catalysts. (2012) (445)
- Mechanism of water oxidation by single-site ruthenium complex catalysts. (2010) (408)
- Mononuclear ruthenium(II) complexes that catalyze water oxidation. (2008) (325)
- Biomass-derived electrocatalytic composites for hydrogen evolution (2013) (297)
- Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases (2007) (273)
- Reactive Scattering Cross Sections III: Quasiclassical and Semiclassical Methods (1979) (245)
- Monte Carlo Calculations of Energy Partitioning and Isotope Effects in Reactions of Fluorine Atoms with H2, HD, and D2 (1971) (233)
- Classical Dynamics of the Reaction of Fluorine Atoms with Hydrogen Molecules. II. Dependence on the Potential Energy Surface (1972) (193)
- Mechanisms for CO production from CO2 using reduced rhenium tricarbonyl catalysts. (2012) (192)
- Second-coordination-sphere and electronic effects enhance iridium(III)-catalyzed homogeneous hydrogenation of carbon dioxide in water near ambient temperature and pressure (2012) (191)
- Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime. (2011) (188)
- Some useful discrete variable representations for problems in time-dependent and time-independent quantum mechanics (1990) (178)
- Water oxidation by a ruthenium complex with noninnocent quinone ligands: possible formation of an O-O bond at a low oxidation state of the metal. (2008) (174)
- Nickel(II) macrocycles: highly efficient electrocatalysts for the selective reduction of CO2 to CO (2012) (161)
- Water oxidation by a mononuclear ruthenium catalyst: characterization of the intermediates. (2011) (160)
- Toward more efficient photochemical CO2 reduction: Use of scCO2 or photogenerated hydrides (2010) (147)
- Ruthenium complexes with non-innocent ligands: Electron distribution and implications for catalysis (2010) (146)
- Mechanistic Insight through Factors Controlling Effective Hydrogenation of CO2 Catalyzed by Bioinspired Proton-Responsive Iridium(III) Complexes (2013) (144)
- Cp*Co(III) catalysts with proton-responsive ligands for carbon dioxide hydrogenation in aqueous media. (2013) (125)
- A theoretical study of the potential energy surface for the reaction OH+CO→H+CO2 (2001) (117)
- Highly Robust Hydrogen Generation by Bioinspired Ir Complexes for Dehydrogenation of Formic Acid in Water: Experimental and Theoretical Mechanistic Investigations at Different pH (2015) (116)
- Formic acid dehydrogenation with bioinspired iridium complexes: a kinetic isotope effect study and mechanistic insight. (2014) (111)
- First-principles study of Ti-catalyzed hydrogen chemisorption on an Al surface: a critical first step for reversible hydrogen storage in NaAlH4. (2005) (108)
- Understanding the role of Ti in reversible hydrogen storage as sodium alanate: a combined experimental and density functional theoretical approach. (2006) (107)
- Comment on "Multiple Potential Energy Surfaces for Reactions of Species in Degenerate Electronic States" by D. G. Truhlar (1972) (104)
- First-Principles Studies of the Structural and Electronic Properties of the (Ga1-xZnx)(N1-xOx) Solid Solution Photocatalyst (2008) (104)
- HOCO radical chemistry. (2010) (103)
- Interconversion of CO2 and formic acid by bio-inspired Ir complexes with pendent bases. (2013) (98)
- Toward the accurate calculation of pKa values in water and acetonitrile. (2013) (97)
- Thermodynamic and kinetic hydricity of ruthenium(II) hydride complexes. (2012) (97)
- Classical Dynamics of the Reaction of Fluorine Atoms with Hydrogen Molecules. III. The Hot‐Atom Reactions of 18F with HD (1972) (96)
- CO2 Hydrogenation Catalyzed by Iridium Complexes with a Proton-Responsive Ligand. (2015) (95)
- Nonadiabatic dynamics of positive charge during photocatalytic water splitting on GaN(10-10) surface: charge localization governs splitting efficiency. (2013) (91)
- Tungsten carbide-nitride on graphene nanoplatelets as a durable hydrogen evolution electrocatalyst. (2014) (89)
- Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes (2014) (83)
- Efficient H2 generation from formic acid using azole complexes in water (2014) (83)
- A General Variational Algorithm to Calculate Vibrational Energy Levels of Tetraatomic Molecules (2002) (82)
- Quasiclassical trajectory investigation of the reaction O( 1D)+H2 (1982) (77)
- Photochemical and radiolytic production of an organic hydride donor with a Ru(II) complex containing an NAD+ model ligand. (2007) (77)
- Wire versus tube: stability of small one-dimensional ZnO nanostructures. (2007) (77)
- Photocatalytic Water Oxidation at the GaN (101̄0)-Water Interface (2010) (74)
- Push or Pull? Proton Responsive Ligand Effects in Rhenium Tricarbonyl CO2 Reduction Catalysts. (2015) (73)
- Why is Re-Re bond formation/cleavage in [Re(bpy)(CO)3]2 different from that in [Re(CO)5]2? Experimental and theoretical studies on the dimers and fragments. (2004) (70)
- Information theoretic prior functions for large molecular systems (1989) (69)
- Characterization of redox states of Ru(OH(2))(Q)(tpy)(2+) (Q = 3,5-di-tert-butyl-1,2-benzoquinone, tpy = 2,2':6',2''-terpyridine) and related species through experimental and theoretical studies. (2009) (69)
- Water oxidation with mononuclear ruthenium(II) polypyridine complexes involving a direct Ru(IV)═O pathway in neutral and alkaline media. (2013) (66)
- Mechanism of hydride donor generation using a Ru(II) complex containing an NAD+ model ligand: pulse and steady-state radiolysis studies. (2008) (65)
- Computational Investigation of Internal Excitation in Nonreactive Molecular Collisions: Resonances in Rotational Excitation (1968) (63)
- In Situ XRD Studies of ZnO/GaN Mixtures at High Pressure and High Temperature: Synthesis of Zn-Rich (Ga1−xZnx)(N1−xOx) Photocatalysts (2010) (63)
- Experimental and Theoretical Investigations on the Methyl−Methyl Recombination Reaction (2003) (62)
- Preparation of (Ga1−xZnx)(N1−xOx) Photocatalysts from the Reaction of NH3 with Ga2O3/ZnO and ZnGa2O4: In Situ Time-Resolved XRD and XAFS Studies (2009) (61)
- Charge exchange and chemical reaction in the H2++H2 system. I. Characterization of the potential energy surfaces and nonadiabatic regions (1978) (61)
- A classical path approach to reactive scattering. I. Use of hyperspherical coordinates (1988) (61)
- Calculation of thermodynamic hydricities and the design of hydride donors for CO2 reduction (2012) (60)
- Desulfurization of SO2 and Thiophene on Surfaces and Nanoparticles of Molybdenum Carbide: Unexpected Ligand and Steric Effects (2004) (60)
- Interconversion of Formic Acid and Carbon Dioxide by Proton-Responsive, Half-Sandwich Cp*IrIII Complexes: A Computational Mechanistic Investigation (2016) (59)
- Highly efficient D2 generation by dehydrogenation of formic acid in D2O through H+/D+ exchange on an iridium catalyst: application to the synthesis of deuterated compounds by transfer deuterogenation. (2012) (59)
- Generation of a RuII-semiquinone-anilino-radical complex through the deprotonation of a RuIII-semiquinone-anilido complex. (2007) (59)
- First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces. (2014) (58)
- Optimally controlled five‐laser infrared multiphoton dissociation of HF (1994) (58)
- Mechanistic studies of hydrogen evolution in aqueous solution catalyzed by a tertpyridine-amine cobalt complex. (2015) (54)
- Water Adsorption on the GaN (101̅0) Nonpolar Surface (2009) (51)
- Direction to practical production of hydrogen by formic acid dehydrogenation with Cp*Ir complexes bearing imidazoline ligands (2016) (51)
- Isotopic Studies of the Proton–Hydrogen Molecule Reaction (1971) (50)
- Proton management as a design principle for hydrogenase-inspired catalysts (2011) (50)
- CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands (2017) (49)
- Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the "blue dimer". (2015) (49)
- Efficient Hydrogen Storage and Production Using a Catalyst with an Imidazoline-Based, Proton-Responsive Ligand. (2017) (48)
- Pressure-induced structural and electronic changes in α-Al H3 (2006) (46)
- MRCI Calculations of the Lowest Potential Energy Surface for CH3OH and Direct ab Initio Dynamics Simulations of the O(1D) + CH4 Reaction† (2004) (46)
- Importance sampling and histogrammic representations of reactivity functions and product distributions in Monte Carlo quasiclassical trajectory calculations (1978) (45)
- New water oxidation chemistry of a seven-coordinate ruthenium complex with a tetradentate polypyridyl ligand. (2014) (45)
- Mechanism of Photocatalytic Reduction of CO2 by Re(bpy)(CO)3Cl from Differences in Carbon Isotope Discrimination (2016) (44)
- Sulfur adsorption and sulfidation of transition metal carbides as hydrotreating catalysts (2005) (43)
- Probabilities for classically forbidden transitions using classical and classical path methods. [cross sections, partial waves, classical path method] (1976) (43)
- Classical mechanics of recombination via the resonance complex mechanism: H + H + M → H2 + M for M = H, H2, He, and Ar (1974) (42)
- Hydride ion transfer from ruthenium(II) complexes in water: kinetics and mechanism. (2010) (42)
- Density Functional Kinetic Monte Carlo Simulation of Water–Gas Shift Reaction on Cu/ZnO (2013) (41)
- On the valence bond diatomics‐in‐molecules method. II. Application to the valence states of FH2 (1979) (40)
- Biomass-derived high-performance tungsten-based electrocatalysts on graphene for hydrogen evolution (2015) (39)
- Chemical reactivity of metcar Ti8C12, nanocrystal Ti14C13 and a bulk TiC(001) surface: A density functional study (2003) (39)
- Photochemical stereospecific hydrogenation of a Ru complex with an NAD(+)/NADH-type ligand. (2009) (38)
- Photocatalytic CO2 Reduction by Trigonal-Bipyramidal Cobalt(II) Polypyridyl Complexes: The Nature of Cobalt(I) and Cobalt(0) Complexes upon Their Reactions with CO2, CO, or Proton. (2018) (37)
- Striking Differences in Properties of Geometric Isomers of [Ir(tpy)(ppy)H](+): Experimental and Computational Studies of their Hydricities, Interaction with CO2, and Photochemistry. (2015) (37)
- On the valence bond diatomics‐in‐molecules method. I. A projection operator reformulation (1979) (37)
- Hydroxy-substituted pyridine-like N-heterocycles: versatile ligands in organometallic catalysis (2013) (36)
- Imaging O(3P)+alkane reactions in crossed molecular beams: Vertical versus adiabatic H abstraction dynamics (2002) (36)
- Applications of classical trajectory techniques to reactive scattering (1981) (35)
- Direct ab initio dynamics study of the OH + HOCO reaction. (2005) (35)
- Critical evaluation of classical trajectory surface-hopping methods as applied to the H2+ + H2 system (1987) (34)
- Experimental and theoretical studies of the near-infrared spectrum of bromomethylene (2001) (34)
- Efficient Cp*Ir Catalysts with Imidazoline Ligands for CO2 Hydrogenation (2015) (34)
- Rate constants from Monte Carlo quasi-classical trajectory calculations. A procedure for importance sampling (1979) (33)
- Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2. (2012) (31)
- Competition between photochemistry and energy transfer in ultraviolet-excited diazabenzenes. I. Photofragmentation studies of pyrazine at 248 nm and 266 nm (2000) (31)
- Studies of the 193 nm photolysis of diethyl ketone and acetone using time-resolved Fourier transform emission spectroscopy (1995) (30)
- A classical path approach to reactive scattering. II. Apparatus for three‐dimensional applications (1989) (30)
- Comparison of quasiclassical trajectory and classical S‐matrix treatments of collinear collisions of F and D2 (1974) (30)
- Substituents dependent capability of bis(ruthenium-dioxolene-terpyridine) complexes toward water oxidation. (2011) (29)
- Desorption of vibrationally excited adsorbates in competition with relaxation: A classical picture (1990) (29)
- Kinetics and Product Study of the Reaction of CH3 Radicals with O(3P) Atoms Using Time Resolved Time-of-Flight Spectrometry (1999) (28)
- Computational investigation of structural and electronic properties of aqueous interfaces of GaN, ZnO, and a GaN/ZnO alloy. (2014) (28)
- Axis-Switching and Coriolis Coupling in the Ã(010)- X∼(000) Transitions of DCCl and HCCl (2002) (28)
- Iridium Complexes with Proton-Responsive Azole-Type Ligands as Effective Catalysts for CO2 Hydrogenation. (2017) (27)
- Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy). (2016) (26)
- Vibrational eigenvalues and eigenfunctions for planar acetylene by wave-packet propagation, and its mode-selective infrared excitation (1997) (26)
- Interaction of CO, O, and S with metal nanoparticles on Au(111): A theoretical study (2003) (25)
- The Trans Effect in Electrocatalytic CO2 Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts. (2019) (25)
- Photoinduced Water Oxidation at the Aqueous GaN (101̅0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step (2015) (24)
- A K-dependent adiabatic approximation to the Renner-Teller effect for triatomic molecules (2002) (24)
- Formation and bonding of alane clusters on Al(111) surfaces studied by infrared absorption spectroscopy and theoretical modeling. (2008) (23)
- Calculation of the vibrational levels of electronically excited argon-hydroxyl (A2.SIGMA.+) using a proposed potential energy surface and analytic discrete variable representations (1991) (23)
- More on the multidimensional surface intersection problem and classical trajectory surface hopping (1976) (23)
- Complete Partial‐Wave Treatment of Compound‐State (Rotational Excitation) Resonances in Subthreshold Scattering of an Atom by a Diatomic Molecule (1970) (23)
- Transition state characterization for the reversible binding of dihydrogen to bis(2,2'-bipyridine)rhodium(I) from temperature- and pressure-dependent experimental and theoretical studies. (2006) (23)
- Time-resolved FTIR studies of the photodissociation of pyruvic acid at 193 nm (1992) (22)
- Internal Excitation in Nonreactive Molecular Collisions: Resonance Widths in the Scattering of an Atom by a Rigid Rotor (1969) (22)
- A theoretical investigation of microscopic dynamics and time scales of predesorption processes (1989) (22)
- The Ti8C12 Metcar: A New Model Catalyst for Hydrodesulfurization (2004) (21)
- Sampling of semiclassically quantized polyatomic molecule vibrations by an adiabatic switching method: Application to quasiclassical trajectory calculations (1995) (21)
- The deposition of Mo nanoparticles on Au(1 1 1) from a Mo(CO)6 precursor: effects of CO on Mo–Au intermixing (2003) (21)
- Local modes and cross‐correlation functions (1983) (21)
- Quantum dynamics of the photoinitiated unimolecular dissociation of HOCO (2002) (20)
- Picolinamide-Based Iridium Catalysts for Dehydrogenation of Formic Acid in Water: Effect of Amide N Substituent on Activity and Stability. (2018) (20)
- Gas- phase interaction of thiophene with the Ti8C12+ and Ti8C12 met-car clusters (2006) (20)
- Computational study of the geometry and properties of the metcars Ti8C12 and Mo8C12 (2003) (20)
- Repetitively sampled time-of-flight mass spectrometry for gas-phase kinetics studies (1999) (20)
- Valence bond diatomics-in-molecules (DIM) treatment of collinear interactions of Group IIa and IIb metal atoms with hydrogen halides: Application to the CaHCl system (1980) (20)
- Symmetry-adapted filter diagonalization: Calculation of the vibrational spectrum of planar acetylene from correlation functions (1998) (20)
- Energetics and molecular dynamics of the reaction of HOCO with HO(2) radicals. (2008) (20)
- Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO. (2008) (20)
- Quantum force molecular dynamics study of the reaction of O atoms with HOCO. (2007) (19)
- Site-dependent activity of atomic Ti catalysts in Al-based hydrogen storage materials. (2012) (18)
- Reactivity of a fac-ReCl(α-diimine)(CO)3 complex with an NAD+ model ligand toward CO2 reduction. (2014) (18)
- Oxidation state characterization of ruthenium 2-iminoquinone complexes through experimental and theoretical studies. (2010) (18)
- Solution of the time-dependent Schrödinger equation employing a basis of explicit discrete-coordinate eigenfunctions: spherical and azimuthal symmetry, adiabaticity, and multiphoton excitation of a rotating Morse oscillator (1991) (18)
- Potential energy surfaces and vibrational energy levels of DCCl and HCCl in three low-lying states (2006) (17)
- Interconversion of CO2/H2 and Formic Acid Under Mild Conditions in Water: Ligand Design for Effective Catalysis (2014) (17)
- Highly Efficient and Selective Methanol Production from Paraformaldehyde and Water at Room Temperature (2018) (17)
- Additive-Free Ruthenium-Catalyzed Hydrogen Production from Aqueous Formaldehyde with High Efficiency and Selectivity (2018) (17)
- The E3Π–X3Δ Transition of Jet-Cooled TiO Observed in Absorption (2002) (16)
- Internal excitation in non-reactive molecular collissions: resonances in elastic scattering of atoms by diatomic molecules☆ (1968) (16)
- Thermodynamics and Kinetics of CO2, CO, and H+ Binding to the Metal Center of CO2 Reduction Catalysts (2012) (15)
- Kinetics and thermodynamics of small molecule binding to pincer-PCP rhodium(I) complexes. (2013) (15)
- Time‐resolved Fourier transform infrared study of the photodissociation of 1,1‐difluoroethene at 193 nm (1994) (15)
- Experimental and computational studies of binding of dinitrogen, nitriles, azides, diazoalkanes, pyridine, and pyrazines to M(PR(3))(2)(CO)(3) (M = Mo, W; R = Me, (i)Pr). (2009) (14)
- Quantum molecular dynamics study of the reaction of O2 with HOCO. (2006) (14)
- MODE-SELECTIVE INFRARED EXCITATION OF LINEAR ACETYLENE (1995) (14)
- Collisions and umbilic catastrophes the hyperbolic umbilic canonical diffraction integral (1983) (14)
- Electrodeposition of Pt onto RuO2(110) Single-Crystal Surface (2007) (13)
- Investigation of LiAlH4-THF formation by direct hydrogenation of catalyzed Al and LiH. (2012) (13)
- Dissociation pressures and compositions of quinol clathrates of methane and methyl fluoride (1969) (13)
- The chemical activity of metal compound nanoparticles: importance of electronic and steric effects in M8C12 (M=Ti, V, Mo) metcars. (2004) (13)
- Ab initio and direct dynamics studies of the reaction of singlet methylene with acetylene and the lifetime of the cyclopropene complex. (2005) (13)
- Kinetic studies of the photoinduced formation of transition metal–dinitrogen complexes using time-resolved infrared and UV–vis spectroscopy (2006) (12)
- Conditions for the equivalence of the "surface hopping" and complex-valued time methods to affect nonadiabatic transitions (1976) (12)
- Direct measurements of rate constants and activation volumes for the binding of H2, D2, N2, C2H4, and CH3CN to W(CO)3(PCy3)2: theoretical and experimental studies with time-resolved step-scan FTIR and UV-vis spectroscopy. (2006) (12)
- Bright-state expansion and optimal control of highly excited polyatomics (1995) (12)
- Empirical potential energy surface for the Hg+I2 reaction (1977) (12)
- Vibrational energy transfer and reactivity in HO+CO collisions (2002) (11)
- Classical dynamics of three-body recombination via the resonance complex mechanism (1972) (11)
- Fourier‐transform spectrophotometer for time‐resolved emission measurements using a 100‐point transient digitizer (1993) (11)
- Functionalized cyclopentadienyl rhodium(III) bipyridine complexes: synthesis, characterization, and catalytic application in hydrogenation of ketones. (2013) (10)
- Catalytic Reactions Using Transition-Metal-Complexes Toward Solar Fuel Generation (2008) (10)
- Steric effect for proton, hydrogen-atom, and hydride transfer reactions with geometric isomers of NADH-model ruthenium complexes. (2012) (10)
- On the use of grid methods for the solution of reactive scattering problems in hyperspherical coordinates (1990) (10)
- Recent Developments in Transition Metal Carbides and Nitrides as Hydrogen Evolution Electrocatalysts (2013) (10)
- Predicted spectrum of subthreshold rotational compound state resonance: pH2XE and oD2Xe (1969) (10)
- First‐Principles Study of Ti‐Catalyzed Hydrogen Chemisorption on an Al Surface: A Critical First Step for Reversible Hydrogen Storage in NaAlH4. (2005) (10)
- Four-Electron-Donor Hemilabile η3-PPh3 Ligand that Binds through a C═C Bond Rather than an Agostic C−H Interaction, and Displacement of the C═C by Methyl Iodide or Water (2008) (10)
- An improved quasiclassical trajectory method for state to state reactive scattering cross sections and rate constants (1984) (10)
- Theoretical investigation of the binding of small molecules and the intramolecular agostic interaction at tungsten centers with carbonyl and phosphine ligands. (2007) (9)
- A classical path approach to reactive scattering (1989) (9)
- Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes. (2014) (9)
- Adsorption of platinum on the stoichiometric RuO2(110) surface. (2006) (9)
- N-Alkylpyrrolidine·Alane Compounds for Energy Applications (2013) (9)
- Exploring the multiple reaction pathways for the H + cyc-C3H6 reaction (2004) (8)
- On the classical path method using Delves coordinates: Asymptotic solution for time‐dependent amplitudes (1985) (8)
- Hydricity, electrochemistry, and excited-state chemistry of Ir complexes for CO2 reduction. (2017) (8)
- Strong-field optical control of vibrational dynamics: Vibrational Stark effect in planar acetylene (1999) (8)
- Bond selective infrared multiphoton excitation and dissociation of linear monodeuterated acetylene (1996) (8)
- Product study of the reaction of CH3 with OH radicals at low pressures and temperatures of 300 and 612 K. (2005) (7)
- THEORETICAL DETERMINATION OF ROVIBRATIONAL ENERGIES AND ANOMALOUS ISOTOPIC EFFECT OF WEAKLY BOUND CLUSTER HXeOH (2003) (7)
- Isolation and X-ray structures of four Rh(PCP) complexes including a Rh(I) dioxygen complex with a short O–O bond (2013) (6)
- The role of laser-pulse phases in the sub-picosecond optimal infrared multiphoton dissociation of HF (1994) (6)
- New cross section functions for hot 18F atom collisions with H2, HD and D2 (1983) (6)
- Investigation of Back‐Scattering in the D+/H2 Reaction System (1971) (6)
- Rotational excitation in molecular collisions: exact (two-state) results versus variational (decoupling) computations (1968) (5)
- Water Oxidation by Ruthenium Catalysts with Non‐Innocent Ligands (2014) (5)
- Editorial: A current perspective on photocatalysis. (2011) (4)
- Inside Cover: Efficient Hydrogen Storage and Production Using a Catalyst with an Imidazoline‐Based, Proton‐Responsive Ligand (ChemSusChem 6/2017) (2017) (3)
- Aluminum Hydride Separation Using N-Alkylmorpholine (2013) (3)
- Electronic Structure of ZnO nanowire (2006) (3)
- Structure of classical trajectories in multidimensional bound molecular systems (1983) (3)
- Phase diagram, structure, and electronic properties of (Ga_{1-x}Zn_{x})(N_{1-x}O_{x}) solid solutions from DFT- based simulations (2014) (3)
- Catalytic activity of Ti-doped NaH nanoclusters towards hydrogenation of terminal alkenes (2007) (3)
- Quasiclassical Trajectory Study of Hot-Atom Reactions of C(1 D) with HI (1981) (3)
- Better than nature (2009) (2)
- An analytic semiclassical model for local and normal stretching modes in AB2 molecules (1988) (2)
- PHOTOCHEMICAL CO2 REDUCTION BY RHENUIM AND RUTHENIUM COMPLEXES. (2007) (2)
- Catalytic CO reduction using photogenerated hydrides: Tuning the "hydricity" (2008) (2)
- Reactions of the 1D State of Oxygen and Carbon (1981) (2)
- STUDIES OF THE QUANTUM DYNAMICS OF RYDBERG ELECTRONS IN SUPERINTENSE LASER FIELDS USING DISCRETE VARIABLE REPRESENTATIONS (1993) (2)
- Atomistic Transport Mechanisms in Aluminum-Based Hydrides (2012) (1)
- Erratum: Calculation of thermodynamic hydricities and the design of hydride donors for CO2 reduction (Proceedings of the National Academy of Sciences of the United States of America (2012) 109, 39 (15657-15662) DOI: 10.1073/pnas.1201026109) (2012) (1)
- Gas-phase interaction of thiophene with the Ti(8)C(12)(+) and Ti(8)C(12) met-car clusters. (2006) (1)
- An Analytic Discrete Variable Representation for the Coulomb Problem (1992) (1)
- Determination of Intermolecular Forces Via Low‐Energy Molecular Beam Scattering (2007) (1)
- Interconversion of CO2 and Formic Acid by Bio‐Inspired Ir Complexes with Pendent Bases (2014) (1)
- Nanostructured Molybdenum Carbide as Pt-Free Catalysts for Hydrogen Evolution (2012) (1)
- A density functional theory study of the catalytic role of Ti atoms in reversible hydrogen storage in the complex metal hydride, NaAlH 4 (2005) (1)
- Erratum: First-Principles Approach to Calculating Energy Level Alignment at Aqueous Semiconductor Interfaces [Phys. Rev. Lett. 113, 176802 (2014)]. (2017) (1)
- Valence bond diatomics-in-molecules method. II. Application to the valence states of FH/sub 2/)/sup a/ (1979) (1)
- N and #8209;Alkylpyrrolidine·Alane Compounds for Energy Applications (2013) (1)
- Nanoscale manipulation of hydrogen storage in NaAlH 4 (2004) (0)
- New Chemistry for Artificial Photosynthesis: A Theoretical Perspective (448th Brookhaven Lecture) (2009) (0)
- Vibrational Dynamics at the Adsorbate-Substrate Interface (1995) (0)
- Gas-Phase Molecular Dynamics: Theoretical Studies in Spectroscopy and Chemical Dynamics (2010) (0)
- Density Functional Theory Based Kinetic Monte Carlo Approach for Understanding Atomistic Mechanisms for Reversible Hydrogen Storage in Metal Hydrides: Application to Alane Formation on Ti Doped Al Surfaces (2008) (0)
- MULTI-REFERENCE CONFIGURATION INTERACTION CALCULATIONS OF THE LOW-LYING ELECTRONIC STATES OF IRON AND VANADIUM MONOHYDRIDE, FeH and VH (2006) (0)
- Water Oxidation on GaN Surface (2010) (0)
- Time‐Resolved Fourier Transform Infrared Study of the Photodissociation of 1,1‐Difluoroethene at 193 nm. (1995) (0)
- Energy Level Alignment at Aqueous GaN and ZnO Interfaces (2014) (0)
- Use of Short-Lived Radioactivity in Crossed Beams: New Information on Chemical Reactions of Hydrogen Astatide (1975) (0)
- Time-resolved Fourier-transform Infrared Emission Study of the 193-nm Photolysis of 3-Pentanone (1995) (0)
- GAS-PHASE MOLECULAR DYNAMICS: VIBRATIONAL DYNAMICS OF POLYATOMIC MOLECULES (1999) (0)
- Water Adsorption on Wurtzite GaN Surfaces (2009) (0)
- Predicted spectrum of subthreshold rotational compound state resonances - p-H sub 2-Xe and o-D sub 2 Xe (1969) (0)
- Mechanistic studies of water oxidation catalyzed by monomeric Ru complexes (2009) (0)
- 448th Brookhaven Lecture (2009) (0)
- Quasiclassical trajectory investigation of the reaction O(/sup 1/D)+H/sub 2/ (1982) (0)
- II . K . 11 Catalyzed Water Oxidation by Solar Irradiation of BandGap-Narrowed Semiconductors (2008) (0)
- ANOMALOUS ISOTOPIC EFFECT IN THE H-Xe STRETCHING FREQUENCY OF HXeOH (2003) (0)
- Atomic and Molecular Hydrogen Interaction with Ti-Doped Al (100): Hydrogen Dissociation and Surface Alane Formation (2006) (0)
- X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface: The influence of local surface structure (2005) (0)
- Classical estimates of the numbers of normal, local and stochastic states of polyatomic molecules as functions of energy: applications to H/sub 2/O (1983) (0)
- Hydrogen Oxidation and Oxygen Reduction Reactions on a c(2 x 2)Pt-RuO2(110) and the Single Pt Atom Activities (2007) (0)
- Correction (2020) (0)
- Theoretical design of hydrogenase-inspired molecular hydrogen production catalysts through calculated free-energy landscapes and coupled Pourbaix diagrams (2009) (0)
- DFT Study of ZnO Nanowire with Wurtzite (0001) Structure (2007) (0)
- Theoretical studies of hydride transfer reactions of metal- and carbon-based hydrides with CO2 and metal carbonyl complexes (2011) (0)
- Alanes formation on the Al(111) surface (2008) (0)
- Ni-Based Catalysts for Hydrogen Evolution Reaction (2011) (0)
- COMPUTATIONAL STUDIES OF THE ELECTRONIC SPECTRA OF TRANSITION-METAL-CONTAINING MOLECULES (2007) (0)
- Photochemical CO2 reduction: Going beyond the current problems (2011) (0)
- Photogeneration of Hydride Donors and Their Use Toward CO2 Reduction (2009) (0)
- Effect of Ti Dopant on Surface Diffusion of Isolated Alane Species: A Comparison between Al (111) and Al (100) surfaces (2009) (0)
- Hydroxy‐Substituted Pyridine‐Like N‐Heterocycles: Versatile Ligands in Organometallic Catalysis (2013) (0)
- Theoretical aspects of gas-phase molecular dynamics (1993) (0)
- CALCULATION OF GAS-PHASE ELECTRONIC SPECTRA OF TRANSITION-METAL COMPLEXES (2009) (0)
- Ruthenium(II)-Catalyzed Water Oxidation by a Direct [RuIV=O]2+ Pathway (2013) (0)
- Hydrogen-Mediated Metal Transport in Complex Metal (2007) (0)
- Discovering the Optimal Route for Alane Synthesis on Ti doped Al Surfaces Using Density Functional Theory Based Kinetic Monte Carlo Methods (2010) (0)
- Density functional theory analysis of Ti-catalyzed hydrogen storage reaction on surfaces and nanoparticles of NaAlH 4 and its intermediates (2004) (0)
- Rotational Sub-Excitation Resonances in Slow Molecular Collisions (1968) (0)
- Cover Feature: Picolinamide‐Based Iridium Catalysts for Dehydrogenation of Formic Acid in Water: Effect of Amide N Substituent on Activity and Stability (Chem. Eur. J. 69/2018) (2018) (0)
- Report on the combustion research contractors' meeting (1979) (0)
- Catalyzed Water Oxidation by Solar Irradiation of Band-Gap-Narrowed Semiconductors (Part 2. Overview) (2008) (0)
- Atomistic Transport Mechanisms in Reversible Complex Metal Hydrides (2006) (0)
- Abstract Submitted for the MAR09 Meeting of The American Physical Society Effect of Ti Dopant on Surface Diffusion of Isolated Alane Species: A Comparison between Al (111) and Al (100) surfaces1 ALTAF KARIM, (2012) (0)
- REVERSIBLE CONVERSION BETWEEN CHEMICAL AND ELECTRICAL ENERGIES CATALYZED BY Ru COMPLEXES AIMED TO CONSTRUCT SUSTAINABLE SOCIETY. (2007) (0)
- Multiscale Modeling of Catalysis and its Application to Hydrogen Production through the Water Gas Shift Reaction on Nanoparticles (2009) (0)
- X-ray absorption and density functional theory study of hydrogen chemisorption on an Al surface (2005) (0)
- CCDC 1039611: Experimental Crystal Structure Determination (2014) (0)
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What Schools Are Affiliated With James T. Muckerman?
James T. Muckerman is affiliated with the following schools:
- University of California, Berkeley
- Carleton College
- Stony Brook University
- California Institute of Technology
- University of Houston
- University of Wisconsin–Madison
- Pennsylvania State University
- Stanford University
- University of Colorado
- University of North Carolina at Chapel Hill
- University of Miami
- Yeshiva University
