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期刊论文 [60]
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Thermal rate coefficients and kinetic isotope effects of the reaction HO + H2O -> H2O + OH
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2019, 卷号: 138, 期号: 9, 页码: 7
作者:
Zhu, Yongfa
;
Lu, Yunpeng
;
Song, Hongwei
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2019/12/06
Hydrogen-transfer reaction
Kinetic isotope effects
Quantum tunneling effect
Transition state theory
Quasi-classical trajectory
A new potential energy surface of the LiHO+ system and the dynamics studies of the O + LiH+ reaction
期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 715, 页码: 123-128
作者:
Wang, Meishan
;
He, Di
;
Zhang, Tianqi
;
Yuan, Jiuchuan
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2019/06/20
Potential energy surface
Quasi-classical trajectory method
Reaction dynamics
Differential cross section
Integral reaction cross section
A new potential energy surface of the liho+ system and the dynamics studies of the o + lih+ reaction
期刊论文
Chemical physics letters, 2019, 卷号: 715, 页码: 123-128
作者:
He, Di
;
Zhang, Tianqi
;
Yuan, Jiuchuan
;
Wang, Meishan
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2019/05/08
Potential energy surface
Quasi-classical trajectory method
Reaction dynamics
Differential cross section
Integral reaction cross section
Effect of reagent vibrational excitation on reaction of H + CH+ -> C+ + H-2
期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66
作者:
Tang Xiao-Ping
;
He Xiao-Hu
;
Zhou Can-Hua
;
Yang Yang
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  |  
浏览/下载:20/0
  |  
提交时间:2017/10/29
Molecular Reaction Dynamics
Quasi-classical Trajectory Method
Vector Correlation
Quasi-classical trajectory insight into stereodynamics for reaction He + D-2(+) -> HeD+ + D with the improved potential energy surface
期刊论文
JOURNAL OF MATHEMATICAL CHEMISTRY, 2017, 卷号: 55, 期号: 5, 页码: 1173-1186
作者:
Zhao, Ningjiu
;
Liu, Yufang
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  |  
浏览/下载:16/0
  |  
提交时间:2017/10/29
Quasi-classical trajectory
Stereodynamics
Vector correlation
Polarization
Alignment
Vibrational and rotational states
Isotopic Effects on Stereodynamics of the C+ + H-2 -> CH+ + H Reaction
期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2017, 卷号: 67, 页码: 549-553
作者:
Yang, Yun-Fan
;
Fan, Xiao-Xing
;
Ma, Feng-Cai
;
Li, Yong-Qing
;
Guo, Lu
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  |  
浏览/下载:26/0
  |  
提交时间:2017/10/29
Isotope Effect
Quasi Classical Trajectory
Vector Correlation
Stereodynamic
Ground State Ch2++ Potential Energy Surface
Breakdown of the vibrationally adiabatic approximation in the early-barrier CH3 + HBr -> CH4 + Br reaction
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2017, 卷号: 136, 期号: 5
作者:
Song, Hongwei
;
Ping, Leilei
;
Wang, Yan
;
Yang, Minghui
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  |  
浏览/下载:14/0
  |  
提交时间:2017/12/06
Quantum Dynamics
Quasi-classical Trajectory
Polyatomic Reaction
Vibrationally Adiabatic Approximation
Influence of collision energy on the stereodynamics of the H+CH+ -> C+ + H-2 reaction
期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 期号: 2
作者:
Yu Dong-Qi
;
Tang Xiao-Ping
;
Zhou Can-Hua
;
He Xiao-Hu
;
Yang Yang
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/06/20
Quasi-classical Trajectory Method
Vector Correlation
Reactive Cross Section
Breakdown of the vibrationally adiabatic approximation in the early-barrier CH3 + HBr → CH4 + Br reaction
期刊论文
Theoretical Chemistry Accounts, 2017, 卷号: 136, 期号: 5, 页码: 59-
作者:
Wang, Yan
;
Ping, Leilei
;
Song, Hongwei
;
Yang, Minghui*
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  |  
浏览/下载:1/0
  |  
提交时间:2019/12/23
Quantum dynamics
Quasi-classical trajectory
Polyatomic reaction
Vibrationally adiabatic approximation
Application of the Multi-Center Partition Method to Construct the Potential Energy Surface of H-3
期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2015, 卷号: 31, 期号: 11, 页码: 2077-2082
作者:
Dai Wei
;
Chen Liu-Yang
;
Zheng Li-Min
;
Yang Ming-Hui
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  |  
浏览/下载:33/0
  |  
提交时间:2016/01/11
Potential energy surface fitting
Quasi-classical trajectory method
Multi-center partition
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