相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Electron-Hole Pair Effects in Polyatomic Dissociative Chemisorption: Water on Ni(111)
Bin Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Mode specificity for the dissociative chemisorption of H2O on Cu(111): a quantum dynamics study on an accurately fitted potential energy surface
Tianhui Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
A seven-dimensional quantum dynamics study of the dissociative chemisorption of H2O on Cu(111): effects of azimuthal angles and azimuthal angle-averaging
Tianhui Liu et al.
CHEMICAL SCIENCE (2016)
The Dynamics of Molecular Interactions and Chemical Reactions at Metal Surfaces: Testing the Foundations of Theory
Kai Golibrzuch et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 66 (2015)
Site-specific dissociation dynamics of H2/D2 on Ag(111) and Co(0001) and the validity of the site-averaging model
Xixi Hu et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
The dissociative chemisorption of water on Ni(111): Mode- and bond-selective chemistry on metal surfaces
Azar Farjamnia et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules
Bin Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Dynamics of Water Dissociative Chemisorption on Ni(111): Effects of Impact Sites and Incident Angles
Bin Jiang et al.
PHYSICAL REVIEW LETTERS (2015)
Dissociative chemisorption of methane on metal surfaces: Tests of dynamical assumptions using quantum models and ab initio molecular dynamics
Bret Jackson et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces
Tianhui Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface
Tianhui Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Dissociative Chemisorption of Methane on Ni and Pt Surfaces: Mode-Specific Chemistry and the Effects of Lattice Motion
Sven Nave et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
Prediction of Mode Specificity, Bond Selectivity, Normal Scaling, and Surface Lattice Effects in Water Dissociative Chemisorption on Several Metal Surfaces Using the Sudden Vector Projection Model
Bin Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2014)
Ab Initio Molecular Dynamics Calculations versus Quantum-State-Resolved Experiments on CHD3 + Pt(111): New Insights into a Prototypical Gas-Surface Reaction
Francesco Nattino et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)
Towards Bond Selective Chemistry from First Principles: Methane on Metal Surfaces
X. J. Shen et al.
PHYSICAL REVIEW LETTERS (2014)
Vibrationally Promoted Dissociation of Water on Ni(111)
P. Morten Hundt et al.
SCIENCE (2014)
Six-dimensional potential energy surface of the dissociative chemisorption of HCl on Au(111) using neural networks
Liu TianHui et al.
SCIENCE CHINA-CHEMISTRY (2014)
Six-dimensional quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface
Tianhui Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface
Bin Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model
Bin Jiang et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
The dissociative chemisorption of methane on Ni(111): The effects of molecular vibration and lattice motion
Bret Jackson et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Reactive scattering of H2 from Cu(100): Comparison of dynamics calculations based on the specific reaction parameter approach to density functional theory with experiment
L. Sementa et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Vibrationally mediated bond selective dissociative chemisorption of HOD on Cu(111)
Bin Jiang et al.
CHEMICAL SCIENCE (2013)
Mode selectivity in methane dissociative chemisorption on Ni(111)
Bin Jiang et al.
CHEMICAL SCIENCE (2013)
Vibrationally bond-selected chemisorption of methane isotopologues on Pt(111) studied by reflection absorption infrared spectroscopy
Li Chen et al.
FARADAY DISCUSSIONS (2012)
Water dissociation on Cu (111): Effects of molecular orientation, rotation, and vibration on reactivity
Arobendo Mondal et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH4 on Ni{100}
Marco Sacchi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Towards chemically accurate simulation of molecule-surface reactions
Geert-Jan Kroes
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Enhancing dissociative chemisorption of H2O on Cu(111) via vibrational excitation
Bin Jiang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)
The dissociative chemisorption of methane on Ni(100): Reaction path description of mode-selective chemistry
Bret Jackson et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Diffractive and reactive scattering of H-2 from Ru(0001): experimental and theoretical study
P. Nieto et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
High-dimensional ab initio potential energy surfaces for reaction dynamics calculations
Joel M. Bowman et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
The temperature dependence of methane dissociation on Ni(111) and Pt(111): Mixed quantum-classical studies of the lattice response
Ashwani Kumar Tiwari et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Vibrational mode-selective chemistry: Methane dissociation on Ni(100)
Sven Nave et al.
PHYSICAL REVIEW B (2010)
Steric Effects in the Chemisorption of Vibrationally Excited Methane on Ni(100)
Bruce L. Yoder et al.
SCIENCE (2010)
Permutationally invariant potential energy surfaces in high dimensionality
Bastiaan J. Braams et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2009)
Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect
Ashwani Kumar Tiwari et al.
PHYSICAL REVIEW LETTERS (2009)
Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)
C. Diaz et al.
SCIENCE (2009)
Frontiers in surface scattering simulations
Geert-Jan Kroes
SCIENCE (2008)
Bond-selective control of a heterogeneously catalyzed reaction
Daniel R. Killelea et al.
SCIENCE (2008)
Observation of a change of vibrational excitation mechanism with surface temperature: HCl collisions with Au(111)
Q. Ran et al.
PHYSICAL REVIEW LETTERS (2007)
State-resolved gas-surface reactivity of methane in the symmetric C-H stretch vibration on Ni(100)
P Maroni et al.
PHYSICAL REVIEW LETTERS (2005)
Six-dimensional quantum dynamics of (v=0,j=0)D2 and of (v=1,j=0)H2 scattering from Cu(111) -: art. no. 214709
S Nave et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Preference for vibrational over translational energy in a gas-surface reaction
RR Smith et al.
SCIENCE (2004)
Vibrational mode-specific reaction of methane on a nickel surface
RD Beck et al.
SCIENCE (2003)
Surface reactivity of highly vibrationally excited molecules prepared by pulsed laser excitation:: CH4 (2ν3) on Ni(100)
MP Schmid et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Quantum theory of dissociative chemisorption on metal surfaces
GJ Kroes et al.
ACCOUNTS OF CHEMICAL RESEARCH (2002)
分享论文
