位置：成果数据库 > 期刊 > 期刊详情页
Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu
  • ISSN号：1089-7690
  • 期刊名称：The Journal of Chemical Physics
  • 时间：2014.11.18
  • 页码：194302-1-194302-8
  • 相关项目：振动激发态分子的反应动力学研究
作者： Tianhui Liu|Bina Fu|Dong H. Zhang|
同期刊论文项目
振动激发态分子的反应动力学研究
期刊论文 58 会议论文 1
同项目期刊论文
A general scaling rule for the collision energy dependence of a rotationally inelastic differential
A local mode picture for H atom reaction with vibrationally excited H2O: a full dimensional stateto-
Quantum and quasi-classical dynamics of the OH + CO→H + CO2 reaction on a new permutationally invari
Six-dimensional quantum dynamics of dissociative chemisorption of H2 on Co(0001) on an accurate glob
State-to-state quantum versus classical dynamics study of the OH plus CO -> H + CO2 reaction in f
Theoretical Study of the State-to-State Photodissociation Dynamics of the Vibrationally Excited Wate
Accurate calculation of the potential energy curve and spectroscopic parameters of X2Σ+ state of 12M
High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of
Six-dimensional potential energy surface of the dissociative chemisorption of Hcl on Au(111) using n
Global Potential Energy Surface for the H+CH4 H-2+CH3 Reaction using Neural Networks
Accuracy of the centrifugal sudden approximation in the H + CHD3 -> H-2 + CD3 reaction
Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface
Effects of reagent rotational excitation on the H + CHD3 -> H-2 + CD3 reaction: A seven dimen
Trapped Abstraction in the O(D-1) + CHD3 -> OH + CD3 Reaction
Trapped Abstraction in the O(1D) + CHD3 → OH + CD3 Reaction
H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid dens
Communication: On the competition between adiabatic and nonadiabatic dynamics in vibrationally media
State-to-state quantum dynamics of the N(4S) + C2(1Σ+) → CN(2Σ+) + C(3P) reaction
Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in it
Dissociative chemisorption dynamics of small molecules on metal surfaces
Ion–ion coincidence imaging of dissociative ionization dynamics of formic acid in intense laser fiel
Hexapole transmission spectrum of formaldehyde oxide
Eight-dimensional quantum reaction rate calculations for the H+CH4 and H2+CH3 reactions on recent po
Time-Dependent Wave Packet Study of the H2 + CH3 → H + CH4 Reaction
CH4 dissociation on Ni(111): a quantum dynamics study of lattice thermal motion
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction
Nonadiabatic laser-induced orientation and alignment of rotational-state-selected CH3Br molecules
The modified quasi-quantum treatment of rotationally inelastic NO(X)–He scattering
Full-Dimensional Quantum Dynamics of Vibrationally Mediated Photodissociation of NH3 and ND3 on Coup
Signatures of non-adiabatic dynamics in the fine-structure state distributions of the OH(？X /？) prod
State to State Photodissociation Dynamics of Vibrationally Excited D2O in B Band
Communication: Separable potential energy surfaces from multiplicative artificial neural networks
Low temperature rate constants for the N(4S) + CH(X2Pr) reaction. Implications for N2 formation cycl
A full-dimensional quantum dynamics study of the mode specificity in the H + HOD abstraction reactio
Extremely short-lived reaction resonances in Cl+HD(v=1)→DCl+H due to chemical bond softening
Methane dissociation on Ni(111): A fifteen-dimensional potential energy surface using neural network
基于新一代密度泛函和神经网络势能面的量子反应动力学计算
H＋D2O→HD＋OD反应的微分截面：一种全维态-态量子动力学计算