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。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)
Vibrational Activation of Methane Chemisorption: The Role of Symmetry
P. Morten Hundt 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 quantum dynamics study for the dissociative adsorption of HCl on Au(111) surface
Tianhui Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
The dissociative chemisorption of methane on Ni(100) and Ni(111): Classical and quantum studies based on the reaction path Hamiltonian
Michael Mastromatteo 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)
Dissociative Chemisorption of Methane on Pt(110)-(1 x2): Effects of Lattice Motion on Reactions at Step Edges
Dongwon Han et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Quantum state-resolved CH4 dissociation on Pt(111): coverage dependent barrier heights from experiment and density functional theory
Hirokazu Ueta et al.
PHYSICAL CHEMISTRY 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)
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)
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)
Bond-selective energy redistribution in the chemisorption of CH3D and CD3H on Pt{110)-(1 x 2): A first-principles molecular dynamics study
M. Sacchi et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (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)
Mode-Specific Chemisorption of CH4 on Pt{110}-(1 x 2) Explored by First-Principles Molecular Dynamics
M. Sacchi et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2011)
State-resolved reactivity of CH4 on Pt(110)-(1x2): The role of surface orientation and impact site
Regis Bisson et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Methane dissociation and adsorption on Ni(111), Pt(111), Ni(100), Pt(100), and Pt(110)-(1x2): Energetic study
Sven Nave et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
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)
Towards an understanding of the vibrational mode specificity for dissociative chemisorption of CH4 on Ni(111): a 15 dimensional study
Krishnamohan G. Prasanna et al.
PHYSICAL CHEMISTRY 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)
Mode selective chemistry at surfaces
Arthur L. Utz
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE (2009)
Methane dissociation on Ni(111) and Pt(111): Energetic and dynamical studies
Sven Nave et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Surface Temperature Dependence of Methane Activation on Ni(111)
D. R. Killelea et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Methane Dissociation on Ni(111): A New Understanding of the Lattice Effect
Ashwani Kumar Tiwari et al.
PHYSICAL REVIEW LETTERS (2009)
State-resolved probes of methane dissociation dynamics
L. B. F. Juurlink et al.
PROGRESS IN SURFACE SCIENCE (2009)
Chemically Accurate Simulation of a Prototypical Surface Reaction: H2 Dissociation on Cu(111)
C. Diaz et al.
SCIENCE (2009)
Bond-selective control of a heterogeneously catalyzed reaction
Daniel R. Killelea et al.
SCIENCE (2008)
State-resolved reactivity of CH4(2ν3) on Pt(111) and Ni(111):: Effects of barrier height and transition state location
R. Bisson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (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)
Comparative study of C-H stretch and bend vibrations in methane activation on Ni(100) and Ni(111)
LBF Juurlink et al.
PHYSICAL REVIEW LETTERS (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)
Dissociation of CH4 on Ni(111) and Ru(0001)
RC Egeberg et al.
SURFACE SCIENCE (2002)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
The role of rotational excitation in the activated dissociative chemisorption of vibrationally excited methane on Ni(100)
LBF Juurlink et al.
FARADAY DISCUSSIONS (2000)