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。Quantum state specific reactant preparation in a molecular beam by rapid adiabatic passage
Helen Chadwick et al.
JOURNAL OF CHEMICAL PHYSICS (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)
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)
Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity
H. Seenivasan 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)
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)
Mode and Bond Selectivities in Methane Dissociative Chemisorption: Quasi-Classical Trajectory Studies on Twelve-Dimensional Potential Energy Surface
Bin Jiang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H2O (X = H, F, O(3P), and Cl) Reactions
Bin Jiang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
On the origin of mode- and bond-selectivity in vibrationally mediated reactions on surfaces
Daniel R. Killelea 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)
Water dissociation on Cu (111): Effects of molecular orientation, rotation, and vibration on reactivity
Arobendo Mondal et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
The sticking probability of D2O-water on ice: Isotope effects and the influence of vibrational excitation
P. Morten Hundt et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
DFT Study of the Water-Gas Shift Reaction and Coke Formation on Ni(111) and Ni(211) Surfaces
Rafael C. Catapan et al.
JOURNAL OF PHYSICAL CHEMISTRY C (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)
Alignment dependent chemisorption of vibrationally excited CH4(ν3) on Ni(100), Ni(110), and Ni(111)
Bruce L. Yoder et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
The dissociative chemisorption of methane on Ni(100): Reaction path description of mode-selective chemistry
Bret Jackson et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
High-dimensional ab initio potential energy surfaces for reaction dynamics calculations
Joel M. Bowman et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration
G. P. Krishnamohan 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)
First-Principles Study on the Origin of the Different Selectivities for Methanol Steam Reforming on Cu(111) and Pd(111)
Xiang-Kui Gu et al.
JOURNAL OF PHYSICAL CHEMISTRY C (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)
DFT studies of dry reforming of methane on Ni catalyst
Yi-An Zhu et al.
CATALYSIS TODAY (2009)
Methane dissociation on Ni(111) and Pt(111): Energetic and dynamical studies
Sven Nave et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Effect of the exchange-correlation potential and of surface relaxation on the description of the H2O dissociation on Cu(111)
Jose L. C. Fajin et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Computational Investigation of Thermochemistry and Kinetics of Steam Methane Reforming on Ni(111) under Realistic Conditions
D. Wayne Blaylock et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2009)
Density Functional Theory Comparison of Water Dissociation Steps on Cu, Au, Ni, Pd, and Pt
Abhijit A. Phatak 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)
A theoretical study of the water gas shift reaction mechanism on Cu(111) model system
Qian-Lin Tang et al.
SURFACE SCIENCE (2009)
Electronic structure of monomeric water adsorption on Ni{111}: Beyond the general model
Jibiao Li et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2008)
On the mechanism of low-temperature water gas shift reaction on copper
Amit A. Gokhale et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
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)
Comparative study of water dissociation on Rh(111) and Ni(111) studied with first principles calculations
Monica Pozzo et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Water monolayer and multilayer adsorption on Ni(111)
M. E. Gallagher et al.
SURFACE SCIENCE (2007)
A systematic theoretical study of water dissociation on clean and oxygen-preadsorbed transition metals
Gui-Chang Wang et al.
JOURNAL OF CATALYSIS (2006)
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)
Adsorption of water molecules on flat and stepped nickel surfaces from first principles
D Sebastiani et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2005)
Vibrational mode-specific reaction of methane on a nickel surface
RD Beck et al.
SCIENCE (2003)
Molecular-beam/surface-science apparatus for state-resolved chemisorption studies using pulsed-laser preparation
MP Schmid et al.
REVIEW OF SCIENTIFIC INSTRUMENTS (2003)
Microcanonical unimolecular rate theory at surfaces. I. Dissociative chemisorption of methane on Pt(111)
A Bukoski et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Steam reforming and graphite formation on Ni catalysts
HS Bengaard et al.
JOURNAL OF CATALYSIS (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)
First-principles theory for the H+H2O, D2O reactions
DH Zhang et al.
SCIENCE (2000)
A simple model for associative desorption and dissociative chemisorption
AC Luntz
JOURNAL OF CHEMICAL PHYSICS (2000)