J. Muckerman

发表

Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2.

H. Schaefer, Jay Agarwal, Brian C. Sanders, 2012, Chemical communications.

Studies of the 193 nm photolysis of diethyl ketone and acetone using time-resolved Fourier transform emission spectroscopy

J. Muckerman, G. Hall, H. Metzler, 1995 .

Water Adsorption on the GaN (101̅0) Nonpolar Surface

P. B. Allen, M. Hybertsen, J. Muckerman, 2009 .

Photocatalytic Water Oxidation at the GaN (101̄0)-Water Interface

P. B. Allen, M. Hybertsen, M. Fernández-Serra, 2010 .

Hydrogen-evolution catalysts based on non-noble metal nickel-molybdenum nitride nanosheets.

A. Frenkel, Yimei Zhu, Chao Ma, 2012, Angewandte Chemie.

Nonadiabatic dynamics of positive charge during photocatalytic water splitting on GaN(10-10) surface: charge localization governs splitting efficiency.

A. Akimov, J. Muckerman, O. Prezhdo, 2013, Journal of the American Chemical Society.

Isotopic Studies of the Proton–Hydrogen Molecule Reaction

J. Muckerman, M. Holliday, L. Friedman, 1971 .

Iridium Complexes with Proton-Responsive Azole-Type Ligands as Effective Catalysts for CO2 Hydrogenation.

E. Fujita, J. Muckerman, Y. Himeda, 2017, ChemSusChem.

CO2 Hydrogenation to Formate and Methanol as an Alternative to Photo- and Electrochemical CO2 Reduction.

Etsuko Fujita, E. Fujita, J. Muckerman, 2015, Chemical reviews.

Positional Effects of Hydroxy Groups on Catalytic Activity of Proton-Responsive Half-Sandwich Cp*Iridium(III) Complexes

E. Fujita, J. Muckerman, Y. Himeda, 2014 .

Formation and bonding of alane clusters on Al(111) surfaces studied by infrared absorption spectroscopy and theoretical modeling.

Santanu Chaudhuri, Yves J Chabal, Y. Chabal, 2008, Journal of the American Chemical Society.

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.

E. Fujita, J. Muckerman, Dmitry E. Polyansky, 2008, Inorganic Chemistry.

Push or Pull? Proton Responsive Ligand Effects in Rhenium Tricarbonyl CO2 Reduction Catalysts.

E. Fujita, J. Muckerman, Y. Himeda, 2015, The journal of physical chemistry. B.

Reactivity of a fac-ReCl(α-diimine)(CO)3 complex with an NAD+ model ligand toward CO2 reduction.

E. Fujita, J. Muckerman, Jinzhu Chen, 2014, Chemical communications.

Water oxidation with mononuclear ruthenium(II) polypyridine complexes involving a direct Ru(IV)═O pathway in neutral and alkaline media.

R. Thummel, E. Fujita, J. Muckerman, 2013, Inorganic chemistry.

Mechanism of water oxidation by single-site ruthenium complex catalysts.

Javier J. Concepcion, J. Muckerman, T. Meyer, 2010, Journal of the American Chemical Society.

Mononuclear ruthenium(II) complexes that catalyze water oxidation.

R. Thummel, J. Muckerman, R. Zong, 2008, Inorganic chemistry.

A General Variational Algorithm to Calculate Vibrational Energy Levels of Tetraatomic Molecules

J. Muckerman, Hua-Gen Yu, 2002 .

STUDIES OF THE QUANTUM DYNAMICS OF RYDBERG ELECTRONS IN SUPERINTENSE LASER FIELDS USING DISCRETE VARIABLE REPRESENTATIONS

J. Muckerman, T. Kennedy, T. Uzer, 1993 .

Hydricity, electrochemistry, and excited-state chemistry of Ir complexes for CO2 reduction.

E. Fujita, J. Muckerman, M. Z. Ertem, 2017, Faraday discussions.

Striking Differences in Properties of Geometric Isomers of [Ir(tpy)(ppy)H](+): Experimental and Computational Studies of their Hydricities, Interaction with CO2, and Photochemistry.

E. Fujita, J. Muckerman, M. Z. Ertem, 2015, Angewandte Chemie.

Quasiclassical trajectory investigation of the reaction O( 1D)+H2

P. Whitlock, E. R. Fisher, J. Muckerman, 1982 .

Biomass-derived electrocatalytic composites for hydrogen evolution

Yimei Zhu, E. Fujita, J. Muckerman, 2013 .

Catalytic Reactions Using Transition-Metal-Complexes Toward Solar Fuel Generation

E. Fujita, J. Muckerman, 2008 .

Classical Dynamics of the Reaction of Fluorine Atoms with Hydrogen Molecules. II. Dependence on the Potential Energy Surface

J. Muckerman, 1972 .

First-Principles Studies of the Structural and Electronic Properties of the (Ga1-xZnx)(N1-xOx) Solid Solution Photocatalyst

M. Newton, J. Muckerman, L. Jensen, 2008 .

Vibrational Dynamics at the Adsorbate-Substrate Interface

J. Muckerman, T. Uzer, 1995 .

Applications of classical trajectory techniques to reactive scattering

J. Muckerman, 1981 .

Mechanism of Photocatalytic Reduction of CO2 by Re(bpy)(CO)3Cl from Differences in Carbon Isotope Discrimination

J. Muckerman, M. Z. Ertem, A. Angeles‐Boza, 2016 .

Toward more efficient photochemical CO2 reduction: Use of scCO2 or photogenerated hydrides

E. Fujita, J. Muckerman, D. Grills, 2010 .

Interconversion of CO2/H2 and Formic Acid Under Mild Conditions in Water: Ligand Design for Effective Catalysis

E. Fujita, J. Muckerman, Y. Himeda, 2014 .

Interconversion of CO2 and formic acid by bio-inspired Ir complexes with pendent bases.

E. Fujita, J. Muckerman, Y. Himeda, 2013, Biochimica et biophysica acta.

Nickel(II) macrocycles: highly efficient electrocatalysts for the selective reduction of CO2 to CO

H. Jia, J. Schneider, E. Fujita, 2012 .

Understanding the role of Ti in reversible hydrogen storage as sodium alanate: a combined experimental and density functional theoretical approach.

S. Chaudhuri, J. Graetz, A. Ignatov, 2006, Journal of the American Chemical Society.

Hydride ion transfer from ruthenium(II) complexes in water: kinetics and mechanism.

Hua Hou, J. Muckerman, C. Creutz, 2010, Inorganic chemistry.

Generation of a RuII-semiquinone-anilino-radical complex through the deprotonation of a RuIII-semiquinone-anilido complex.

E. Fujita, J. Muckerman, T. Wada, 2007, Angewandte Chemie.

Local modes and cross‐correlation functions

D. W. Noid, J. Muckerman, M. Child, 1983 .

Classical mechanics of recombination via the resonance complex mechanism: H + H + M → H2 + M for M = H, H2, He, and Ar

R. E. Roberts, P. Whitlock, J. Muckerman, 1974 .

Classical dynamics of three-body recombination via the resonance complex mechanism

R. E. Roberts, P. Whitlock, J. Muckerman, 1972 .

Critical evaluation of classical trajectory surface-hopping methods as applied to the H2+ + H2 system

J. Muckerman, J. Stine, 1987 .

Water Oxidation by Ruthenium Catalysts with Non‐Innocent Ligands

E. Fujita, J. Muckerman, T. Wada, 2014 .

Biomass-derived high-performance tungsten-based electrocatalysts on graphene for hydrogen evolution

E. Hu, E. Fujita, J. Muckerman, 2015 .

Efficient Hydrogen Storage and Production Using a Catalyst with an Imidazoline-Based, Proton-Responsive Ligand.

T. Hirose, E. Fujita, J. Muckerman, 2017, ChemSusChem.

CO2 Hydrogenation Catalyzed by Iridium Complexes with a Proton-Responsive Ligand.

E. Fujita, J. Muckerman, Y. Himeda, 2015, Inorganic chemistry.

Efficient Cp*Ir Catalysts with Imidazoline Ligands for CO2 Hydrogenation

E. Fujita, J. Muckerman, Y. Himeda, 2015 .

Efficient H2 generation from formic acid using azole complexes in water

E. Fujita, J. Muckerman, Y. Himeda, 2014 .

Ruthenium complexes with non-innocent ligands: Electron distribution and implications for catalysis

E. Fujita, J. Muckerman, Ming-Kang Tsai, 2010 .

Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the "blue dimer".

Javier J. Concepcion, E. Fujita, J. Muckerman, 2015, Chemical communications.

Empirical potential energy surface for the Hg+I2 reaction

J. Muckerman, T. Mayer, R. Bernstein, 1977 .

II . K . 11 Catalyzed Water Oxidation by Solar Irradiation of BandGap-Narrowed Semiconductors

E. Fujita, J. Muckerman, P. Khalifah, 2008 .

Formic acid dehydrogenation with bioinspired iridium complexes: a kinetic isotope effect study and mechanistic insight.

E. Fujita, J. Muckerman, Y. Himeda, 2014, ChemSusChem.

The Trans Effect in Electrocatalytic CO2 Reduction: Mechanistic Studies of Asymmetric Ruthenium Pyridyl-Carbene Catalysts.

J. Muckerman, Alexander J. M. Miller, C. Schauer, 2019, Journal of the American Chemical Society.

Additive-Free Ruthenium-Catalyzed Hydrogen Production from Aqueous Formaldehyde with High Efficiency and Selectivity

E. Fujita, J. Muckerman, K. Murata, 2018, ACS Catalysis.

CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands

E. Fujita, J. Muckerman, Y. Himeda, 2017 .

Interconversion of Formic Acid and Carbon Dioxide by Proton-Responsive, Half-Sandwich Cp*IrIII Complexes: A Computational Mechanistic Investigation

E. Fujita, J. Muckerman, Y. Himeda, 2016 .

Highly Robust Hydrogen Generation by Bioinspired Ir Complexes for Dehydrogenation of Formic Acid in Water: Experimental and Theoretical Mechanistic Investigations at Different pH

E. Fujita, J. Muckerman, Y. Himeda, 2015 .

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.

B. Brunschwig, E. Fujita, J. Muckerman, 2006, Inorganic chemistry.

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.

E. Fujita, J. Muckerman, Ming-Kang Tsai, 2009, Inorganic chemistry.

Second-coordination-sphere and electronic effects enhance iridium(III)-catalyzed homogeneous hydrogenation of carbon dioxide in water near ambient temperature and pressure

E. Fujita, J. Muckerman, Y. Himeda, 2012 .

Quantum force molecular dynamics study of the reaction of O atoms with HOCO.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2007, The Journal of chemical physics.

Quantum dynamics of the photoinitiated unimolecular dissociation of HOCO

J. Muckerman, Hua-Gen Yu, 2002 .

Comparison of quasiclassical trajectory and classical S‐matrix treatments of collinear collisions of F and D2

P. Whitlock, J. Muckerman, 1974 .

Comment on "Multiple Potential Energy Surfaces for Reactions of Species in Degenerate Electronic States" by D. G. Truhlar

M. Newton, J. Muckerman, 1972 .

Classical Dynamics of the Reaction of Fluorine Atoms with Hydrogen Molecules. III. The Hot‐Atom Reactions of 18F with HD

J. Muckerman, 1972 .

Reactions of the 1D State of Oxygen and Carbon

P. Whitlock, J. Muckerman, P. Kroger, 1981 .

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.

T. Hirose, E. Fujita, J. Muckerman, 2012, Chemistry.

Conditions for the equivalence of the "surface hopping" and complex-valued time methods to affect nonadiabatic transitions

J. Muckerman, J. Stine, 1976 .

Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2008, The Journal of chemical physics.

The E3Π–X3Δ Transition of Jet-Cooled TiO Observed in Absorption

A. J. Merer, Kaori Kobayashi, J. Muckerman, 2002 .

A classical path approach to reactive scattering. II. Apparatus for three‐dimensional applications

J. Muckerman, G. D. Billing, 1989 .

A classical path approach to reactive scattering. I. Use of hyperspherical coordinates

J. Muckerman, G. D. Billing, R. D. Gilbert, 1988 .

An improved quasiclassical trajectory method for state to state reactive scattering cross sections and rate constants

C. J. Ashton, J. Muckerman, F. E. Schubert, 1984 .

Rate constants from Monte Carlo quasi-classical trajectory calculations. A procedure for importance sampling

M. B. Faist, J. Muckerman, M. Faist, 1979 .

Reactive Scattering Cross Sections III: Quasiclassical and Semiclassical Methods

Donald G. Truhlar, D. Truhlar, J. Muckerman, 1979 .

Desulfurization of SO2 and Thiophene on Surfaces and Nanoparticles of Molybdenum Carbide: Unexpected Ligand and Steric Effects

Ping Liu, J. Rodríguez, J. Muckerman, 2004 .

A classical path approach to reactive scattering

J. Muckerman, G. D. Billing, 1989 .

Thermodynamics and Kinetics of CO2, CO, and H+ Binding to the Metal Center of CO2 Reduction Catalysts

H. Jia, J. Schneider, E. Fujita, 2012 .

Recent developments in transition metal carbides and nitrides as hydrogen evolution electrocatalysts.

Etsuko Fujita, Wei-Fu Chen, E. Fujita, 2013, Chemical communications.

Recent developments in transition metal carbides and nitrides as hydrogen evolution electrocatalysts.

E. Fujita, J. Muckerman, Wei-Fu Chen, 2013, Chemical communications.

Electronic Structure of ZnO nanowire

P. B. Allen, J. Muckerman, M. Pederson, 2006, cond-mat/0610002.

Photochemical and radiolytic production of an organic hydride donor with a Ru(II) complex containing an NAD+ model ligand.

E. Fujita, J. Muckerman, T. Fukushima, 2007, Angewandte Chemie.

Time-resolved FTIR studies of the photodissociation of pyruvic acid at 193 nm

G. Flynn, J. Muckerman, G. Hall, 1992 .

Determination of Intermolecular Forces Via Low‐Energy Molecular Beam Scattering

J. Muckerman, R. Bernstein, 2007 .

Complete Partial‐Wave Treatment of Compound‐State (Rotational Excitation) Resonances in Subthreshold Scattering of an Atom by a Diatomic Molecule

J. Muckerman, R. Bernstein, 1970 .

An Analytic Discrete Variable Representation for the Coulomb Problem

J. Muckerman, T. Uzer, R. V. Weaver, 1992 .

A K-dependent adiabatic approximation to the Renner-Teller effect for triatomic molecules

J. Muckerman, Hua-Gen Yu, T. Sears, 2002 .

Calculation of thermodynamic hydricities and the design of hydride donors for CO2 reduction

E. Fujita, J. Muckerman, C. Creutz, 2012, Proceedings of the National Academy of Sciences.

Functionalized cyclopentadienyl rhodium(III) bipyridine complexes: synthesis, characterization, and catalytic application in hydrogenation of ketones.

E. Fujita, J. Muckerman, Y. Himeda, 2013, Dalton transactions.

Hydrogen oxidation and production using nickel-based molecular catalysts with positioned proton relays.

Daniel L DuBois, Aaron D. Wilson, J. Muckerman, 2006, Journal of the American Chemical Society.

Reversible hydrogen storage using CO2 and a proton-switchable iridium catalyst in aqueous media under mild temperatures and pressures

Etsuko Fujita, E. Fujita, J. Muckerman, 2012, Nature Chemistry.

Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases

Daniel L DuBois, Aaron D. Wilson, R. Shoemaker, 2007, Proceedings of the National Academy of Sciences.

Mechanistic Insight through Factors Controlling Effective Hydrogenation of CO2 Catalyzed by Bioinspired Proton-Responsive Iridium(III) Complexes

Etsuko Fujita, E. Fujita, J. Muckerman, 2013 .

Cp*Co(III) catalysts with proton-responsive ligands for carbon dioxide hydrogenation in aqueous media.

E. Fujita, J. Muckerman, Y. Himeda, 2013, Inorganic chemistry.

Kinetics and thermodynamics of small molecule binding to pincer-PCP rhodium(I) complexes.

E. Fujita, J. Muckerman, Kuo‐Wei Huang, 2013, Inorganic chemistry.

Isolation and X-ray structures of four Rh(PCP) complexes including a Rh(I) dioxygen complex with a short O–O bond

J. Hanson, E. Fujita, J. Muckerman, 2013 .

Direction to practical production of hydrogen by formic acid dehydrogenation with Cp*Ir complexes bearing imidazoline ligands

E. Fujita, J. Muckerman, Y. Himeda, 2016 .

Hydroxy-substituted pyridine-like N-heterocycles: versatile ligands in organometallic catalysis

E. Fujita, J. Muckerman, Y. Himeda, 2013 .

Thermodynamic and kinetic hydricity of ruthenium(II) hydride complexes.

E. Fujita, J. Muckerman, C. Creutz, 2012, Journal of the American Chemical Society.

Mechanistic studies of hydrogen evolution in aqueous solution catalyzed by a tertpyridine-amine cobalt complex.

E. Fujita, J. Muckerman, Dmitry E. Polyansky, 2015, Inorganic chemistry.

Oxidation state characterization of ruthenium 2-iminoquinone complexes through experimental and theoretical studies.

E. Fujita, J. Muckerman, Ming-Kang Tsai, 2010, Inorganic chemistry.

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).

E. Fujita, J. Muckerman, C. Hoff, 2009, Inorganic chemistry.

Noninnocent Proton-Responsive Ligand Facilitates Reductive Deprotonation and Hinders CO2 Reduction Catalysis in [Ru(tpy)(6DHBP)(NCCH3)](2+) (6DHBP = 6,6'-(OH)2bpy).

E. Fujita, J. Muckerman, Y. Himeda, 2016, Inorganic chemistry.

Toward the accurate calculation of pKa values in water and acetonitrile.

Jonathan H Skone, J. Muckerman, James T Muckerman, 2013, Biochimica et biophysica acta.

Proton management as a design principle for hydrogenase-inspired catalysts

E. Fujita, J. Muckerman, D. Dubois, 2011 .

Thermodynamics and kinetics of CO2, CO, and H+ binding to the metal centre of CO2 reduction catalysts.

H. Jia, J. Schneider, E. Fujita, 2012, Chemical Society reviews.

Photochemical stereospecific hydrogenation of a Ru complex with an NAD(+)/NADH-type ligand.

E. Fujita, J. Muckerman, T. Fukushima, 2009, Inorganic chemistry.

Mechanism of hydride donor generation using a Ru(II) complex containing an NAD+ model ligand: pulse and steady-state radiolysis studies.

E. Fujita, J. Muckerman, T. Fukushima, 2008, Inorganic chemistry.

Steric effect for proton, hydrogen-atom, and hydride transfer reactions with geometric isomers of NADH-model ruthenium complexes.

R. Thummel, E. Fujita, J. Muckerman, 2012, Faraday discussions.

Kinetic studies of the photoinduced formation of transition metal–dinitrogen complexes using time-resolved infrared and UV–vis spectroscopy

E. Fujita, J. Muckerman, Kuo‐Wei Huang, 2006 .

HOCO radical chemistry.

Hua-Gen Yu, Joseph S. Francisco, J. S. Francisco, 2010, Accounts of chemical research.

Catalytic activity of Ti-doped NaH nanoclusters towards hydrogenation of terminal alkenes

J. Muckerman, S. Chaudhuri, 2007 .

Highly active and durable nanostructured molybdenum carbide electrocatalysts for hydrogen production

Yimei Zhu, J. Muckerman, Wenqian Xu, 2013 .

Pressure-induced structural and electronic changes in α-Al H3

S. Chaudhuri, T. Vogt, J. Graetz, 2006 .

Chemical reactivity of metcar Ti8C12, nanocrystal Ti14C13 and a bulk TiC(001) surface: A density functional study

Ping Liu, Hua Hou, J. Rodríguez, 2003 .

Water oxidation by a mononuclear ruthenium catalyst: characterization of the intermediates.

R. Thummel, E. Fujita, J. Muckerman, 2011, Journal of the American Chemical Society.

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

J. Muckerman, A. D. Isaacson, 1980 .

Charge exchange and chemical reaction in the H2++H2 system. I. Characterization of the potential energy surfaces and nonadiabatic regions

J. Muckerman, J. Stine, 1978 .

Repetitively sampled time-of-flight mass spectrometry for gas-phase kinetics studies

H. Bernstein, J. Muckerman, G. Hall, 1999 .

Some useful discrete variable representations for problems in time-dependent and time-independent quantum mechanics

J. Muckerman, 1990 .

Investigation of Back‐Scattering in the D+/H2 Reaction System

J. Muckerman, M. Holliday, L. Friedman, 1971 .

Time‐resolved Fourier transform infrared study of the photodissociation of 1,1‐difluoroethene at 193 nm

G. Flynn, J. Muckerman, G. Hall, 1994 .

Fourier‐transform spectrophotometer for time‐resolved emission measurements using a 100‐point transient digitizer

G. Flynn, H. Bernstein, J. Hanson, 1993 .

Information theoretic prior functions for large molecular systems

J. Muckerman, 1989 .

Computational Investigation of Internal Excitation in Nonreactive Molecular Collisions: Resonances in Rotational Excitation

R. Levine, J. Muckerman, R. Bernstein, 1968 .

Monte Carlo Calculations of Energy Partitioning and Isotope Effects in Reactions of Fluorine Atoms with H2, HD, and D2

J. Muckerman, 1971 .

Vibrational eigenvalues and eigenfunctions for planar acetylene by wave-packet propagation, and its mode-selective infrared excitation

J. Muckerman, Li Liu, 1997 .

Electrodeposition of Pt onto RuO2(110) Single-Crystal Surface

Ping Liu, J. Muckerman, R. Adzic, 2007 .

New cross section functions for hot 18F atom collisions with H2, HD and D2

J. W. Root, J. Muckerman, D. Bookin, 1983 .

Imaging O(3P)+alkane reactions in crossed molecular beams: Vertical versus adiabatic H abstraction dynamics

J. Muckerman, A. Suits, G. Hall, 2002 .

Axis-Switching and Coriolis Coupling in the Ã(010)- X∼(000) Transitions of DCCl and HCCl

A. J. Merer, Kaori Kobayashi, J. Muckerman, 2002 .

Potential energy surfaces and vibrational energy levels of DCCl and HCCl in three low-lying states

J. Muckerman, T. Sears, Hua-Gen Yu *, 2006 .

Experimental and theoretical studies of the near-infrared spectrum of bromomethylene

J. Muckerman, A. J. Marr, T. González-Lezana, 2001 .

Symmetry-adapted filter diagonalization: Calculation of the vibrational spectrum of planar acetylene from correlation functions

Hua Guo, J. Muckerman, Rongqing Chen, 1998 .

Kinetics and Product Study of the Reaction of CH3 Radicals with O(3P) Atoms Using Time Resolved Time-of-Flight Spectrometry

J. Muckerman, G. Hall, J. Preses, 1999 .

Competition between photochemistry and energy transfer in ultraviolet-excited diazabenzenes. I. Photofragmentation studies of pyrazine at 248 nm and 266 nm

G. Flynn, S. M. Rubin, J. Muckerman, 2000 .

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

J. Muckerman, F. J. Lin, 1991 .

Calculation of the vibrational levels of electronically excited argon-hydroxyl (A2.SIGMA.+) using a proposed potential energy surface and analytic discrete variable representations

J. Muckerman, Y. Guan, 1991 .

Desorption of vibrationally excited adsorbates in competition with relaxation: A classical picture

J. Muckerman, T. Uzer, Y. Guan, 1990 .

Importance sampling and histogrammic representations of reactivity functions and product distributions in Monte Carlo quasiclassical trajectory calculations

J. Muckerman, F. E. Schubert, M. Faist, 1978 .

Vibrational energy transfer and reactivity in HO+CO collisions

Hua-Gen Yu, J. Muckerman, G. D. Billing, 2002 .

A theoretical study of the potential energy surface for the reaction OH+CO→H+CO2

Trevor J. Sears, J. Muckerman, Hua-Gen Yu, 2001 .

On the use of grid methods for the solution of reactive scattering problems in hyperspherical coordinates

J. Muckerman, G. D. Billing, N. Marković, 1990 .

Time-resolved Fourier-transform Infrared Emission Study of the 193-nm Photolysis of 3-Pentanone

J. Muckerman, G. Hall, J. Preses, 1995, Fourier Transform Spectroscopy New Methods and Applications.

Interaction of CO, O, and S with metal nanoparticles on Au(111): A theoretical study

Ping Liu, J. Hrbek, J. Rodríguez, 2003 .

The deposition of Mo nanoparticles on Au(1 1 1) from a Mo(CO)6 precursor: effects of CO on Mo–Au intermixing

Ping Liu, J. Hrbek, J. Rodríguez, 2003 .

Density Functional Kinetic Monte Carlo Simulation of Water–Gas Shift Reaction on Cu/ZnO

A. Karim, J. Muckerman, Liu Yang, 2013 .

Predicted spectrum of subthreshold rotational compound state resonance: pH2XE and oD2Xe

J. Muckerman, R. Bernstein, 1969 .

Substituents dependent capability of bis(ruthenium-dioxolene-terpyridine) complexes toward water oxidation.

E. Fujita, J. Muckerman, T. Wada, 2011, Dalton transactions.

On the valence bond diatomics‐in‐molecules method. I. A projection operator reformulation

J. Muckerman, M. Faist, 1979 .

Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes.

M. Field, H. Gray, M. Fontecave, 2014, Chemphyschem : a European journal of chemical physics and physical chemistry.

A theoretical investigation of microscopic dynamics and time scales of predesorption processes

J. Muckerman, T. Uzer, 1989 .

Adsorption of platinum on the stoichiometric RuO2(110) surface.

Ping Liu, J. Muckerman, R. Adzic, 2006, The Journal of chemical physics.

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.

E. Fujita, J. Muckerman, 2004, Inorganic chemistry.

Tungsten carbide-nitride on graphene nanoplatelets as a durable hydrogen evolution electrocatalyst.

Kotaro Sasaki, Yimei Zhu, Etsuko Fujita, 2014, ChemSusChem.

More on the multidimensional surface intersection problem and classical trajectory surface hopping

J. Muckerman, J. Stine, 1976 .

In Situ XRD Studies of ZnO/GaN Mixtures at High Pressure and High Temperature: Synthesis of Zn-Rich (Ga1−xZnx)(N1−xOx) Photocatalysts

J. Hanson, J. Rodríguez, J. Bai, 2010 .

Internal Excitation in Nonreactive Molecular Collisions: Resonance Widths in the Scattering of an Atom by a Rigid Rotor

J. Muckerman, 1969 .

Mechanisms for CO production from CO2 using reduced rhenium tricarbonyl catalysts.

H. Schaefer, Jay Agarwal, E. Fujita, 2012, Journal of the American Chemical Society.

N-Alkylpyrrolidine·Alane Compounds for Energy Applications

J. Graetz, J. Muckerman, Liu Yang, 2013 .

Investigation of LiAlH4-THF formation by direct hydrogenation of catalyzed Al and LiH.

Y. Chabal, J. Graetz, J. Muckerman, 2012, Physical chemistry chemical physics : PCCP.

THEORETICAL DETERMINATION OF ROVIBRATIONAL ENERGIES AND ANOMALOUS ISOTOPIC EFFECT OF WEAKLY BOUND CLUSTER HXeOH

J. Muckerman, Hua-Gen Yu, 2003 .

Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime.

E. Fujita, J. Muckerman, 2011, Chemical communications.

Experimental and Theoretical Investigations on the Methyl−Methyl Recombination Reaction

Baoshan Wang, Hua Hou, Hua Hou, 2003 .

Probabilities for classically forbidden transitions using classical and classical path methods. [cross sections, partial waves, classical path method]

R. E. Roberts, I. Rusinek, J. Muckerman, 1976 .

Sampling of semiclassically quantized polyatomic molecule vibrations by an adiabatic switching method: Application to quasiclassical trajectory calculations

J. Muckerman, J. Valentini, Jingrong Huang, 1995 .

Optimally controlled five‐laser infrared multiphoton dissociation of HF

H. Rabitz, J. Muckerman, P. Gross, 1994 .

Photoinduced Water Oxidation at the Aqueous GaN (101̅0) Interface: Deprotonation Kinetics of the First Proton-Coupled Electron-Transfer Step

M. Hybertsen, V. Batista, N. Kharche, 2015 .

Sulfur adsorption and sulfidation of transition metal carbides as hydrotreating catalysts

Ping Liu, J. Rodríguez, J. Muckerman, 2005 .

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.

K. Kodama, T. Hirose, E. Fujita, 2018, Inorganic Chemistry.

Gas- phase interaction of thiophene with the Ti8C12+ and Ti8C12 met-car clusters

Ping Liu, J. Rodríguez, J. Muckerman, 2006 .

The chemical activity of metal compound nanoparticles: importance of electronic and steric effects in M8C12 (M=Ti, V, Mo) metcars.

Ping Liu, J. Rodríguez, J. Muckerman, 2004, The Journal of chemical physics.

Gas-phase interaction of thiophene with the Ti(8)C(12)(+) and Ti(8)C(12) met-car clusters.

Ping Liu, J. Rodríguez, J. Muckerman, 2006, The journal of physical chemistry. B.

The Ti8C12 Metcar: A New Model Catalyst for Hydrodesulfurization

Ping Liu, J. Rodríguez, J. Muckerman, 2004 .

First-principles approach to calculating energy level alignment at aqueous semiconductor interfaces.

Neerav Kharche, M. Hybertsen, N. Kharche, 2014, Physical review letters.

MODE-SELECTIVE INFRARED EXCITATION OF LINEAR ACETYLENE

J. Muckerman, M. Kaluža, 1995 .

First-principles study of Ti-catalyzed hydrogen chemisorption on an Al surface: a critical first step for reversible hydrogen storage in NaAlH4.

Santanu Chaudhuri, S. Chaudhuri, J. Muckerman, 2005, The journal of physical chemistry. B.

Computational investigation of structural and electronic properties of aqueous interfaces of GaN, ZnO, and a GaN/ZnO alloy.

M. Hybertsen, N. Kharche, J. Muckerman, 2014, Physical chemistry chemical physics : PCCP.

Aluminum Hydride Separation Using N-Alkylmorpholine

J. Graetz, J. Muckerman, Liu Yang, 2013 .

Collisions and umbilic catastrophes the hyperbolic umbilic canonical diffraction integral

J. Muckerman, M. Child, T. Uzer, 1983 .

On the valence bond diatomics‐in‐molecules method. II. Application to the valence states of FH2

J. Muckerman, M. Faist, 1979 .

New water oxidation chemistry of a seven-coordinate ruthenium complex with a tetradentate polypyridyl ligand.

Javier J. Concepcion, R. Thummel, E. Fujita, 2014, Inorganic chemistry.

Direct ab initio dynamics study of the OH + HOCO reaction.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2005, The journal of physical chemistry. A.

Wire versus tube: stability of small one-dimensional ZnO nanostructures.

Xiao Shen, James W Davenport, P. B. Allen, 2007, Nano letters.

Site-dependent activity of atomic Ti catalysts in Al-based hydrogen storage materials.

C. Ciobanu, P. Sutter, A. Karim, 2012, Journal of the American Chemical Society.

Energetics and molecular dynamics of the reaction of HOCO with HO(2) radicals.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2008, The Journal of chemical physics.

Bright-state expansion and optimal control of highly excited polyatomics

J. Muckerman, M. Kaluža, 1995 .

Gas-Phase Molecular Dynamics: Theoretical Studies in Spectroscopy and Chemical Dynamics

J. Muckerman, Hua-Gen Yu, 2010 .

Strong-field optical control of vibrational dynamics: Vibrational Stark effect in planar acetylene

J. Muckerman, Li Liu, 1999 .

Bond selective infrared multiphoton excitation and dissociation of linear monodeuterated acetylene

J. Muckerman, M. Kaluža, 1996 .

The role of laser-pulse phases in the sub-picosecond optimal infrared multiphoton dissociation of HF

H. Rabitz, J. Muckerman, M. Kaluža, 1994 .

PHOTOCHEMICAL CO2 REDUCTION BY RHENUIM AND RUTHENIUM COMPLEXES.

E. Fujita, J. Muckerman, K. Tanaka, 2007 .

Photogeneration of Hydride Donors and Their Use Toward CO2 Reduction

E. Fujita, J. Muckerman, Dmitry E. Polyansky, 2009 .

Quantum molecular dynamics study of the reaction of O2 with HOCO.

J. Muckerman, Hua-Gen Yu, 2006, Journal of Physical Chemistry A.

Computational study of the geometry and properties of the metcars Ti8C12 and Mo8C12

Hua Hou, Ping Liu, Ping Liu, 2003 .

Tungsten carbide-nitride on graphene nanoplatelets as a durable hydrogen evolution electrocatalyst.

J. Schneider, Yimei Zhu, E. Fujita, 2014, ChemSusChem.

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

J. Hanson, A. Frenkel, J. Rodríguez, 2009 .

Picolinamide-Based Iridium Catalysts for Dehydrogenation of Formic Acid in Water: Effect of Amide N Substituent on Activity and Stability.

E. Fujita, J. Muckerman, K. Murata, 2018, Chemistry.

Formic acid dehydrogenation with bioinspired iridium complexes: a kinetic isotope effect study and mechanistic insight.

E. Fujita, J. Muckerman, Y. Himeda, 2014, ChemSusChem.

On the classical path method using Delves coordinates: Asymptotic solution for time‐dependent amplitudes

J. Muckerman, R. D. Gilbert, 1985 .

Exploring the intermediates of photochemical CO2 reduction: reaction of Re(dmb)(CO)3 COOH with CO2.

H. Schaefer, Jay Agarwal, Brian C. Sanders, 2012, Chemical communications.

Hydride ion transfer from ruthenium(II) complexes in water: kinetics and mechanism.

Hua Hou, J. Muckerman, C. Creutz, 2010, Inorganic chemistry.

Catalyzed Water Oxidation by Solar Irradiation of Band-Gap-Narrowed Semiconductors (Part 2. Overview)

E. Fujita, J. Muckerman, P. Khalifah, 2008 .