中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页
机构
成果
学者
登录
注册
登陆
×
验证码:
换一张
忘记密码?
记住我
×
校外用户登录
CAS IR Grid
机构
大连化学物理研究所 [43]
化学研究所 [1]
采集方式
OAI收割 [44]
内容类型
期刊论文 [24]
会议论文 [20]
发表日期
2015 [2]
2014 [7]
2013 [9]
2012 [4]
2011 [4]
2010 [3]
更多
学科主题
物理化学 [44]
筛选
浏览/检索结果:
共44条,第1-10条
帮助
限定条件
学科主题:物理化学
条数/页:
5
10
15
20
25
30
35
40
45
50
55
60
65
70
75
80
85
90
95
100
排序方式:
请选择
提交时间升序
提交时间降序
发表日期升序
发表日期降序
题名升序
题名降序
作者升序
作者降序
From gas phase to surface reaction dynamics: O(1D)+CH4 and HCl/DCl +Au(111) surface
会议论文
OAI收割
dicp symposium (xxxvii) on theoretical challenges in small molecule dynamics,a satellite meeting of the 15th international congress of quantum chemistry, 中国, 2015-06-02
作者:
Fu BN(傅碧娜)
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2015/11/13
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
期刊论文
OAI收割
journal of chemical physics, 2015, 卷号: 142, 期号: 20, 页码: 204302
作者:
Li, Jun
;
Chen, Jun
;
Zhao, Zhiqiang
;
Xie, Daiqian
;
Zhang, Dong H.
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2015/11/16
Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(S-2) + H-2(X-1 n-ary sumation (+)(g)) -> AuH(X-1 n-ary sumation (+)(g)) + H(S-2) reaction
期刊论文
OAI收割
molecular physics, 2014, 卷号: 112, 期号: 22, 页码: 2945-2953
作者:
Yuan, Jiuchuang
;
Cheng, Dahai
;
Sun, Zhigang
;
Chen, Maodu
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2015/11/16
reactive mechanism
PES
QCT
TDWP
Communication: Rigorous quantum dynamics of O + O-2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients
期刊论文
OAI收割
journal of chemical physics, 2014, 卷号: 141, 期号: 8, 页码: 081102
作者:
Li, Yaqin
;
Sun, Zhigang
;
Jiang, Bin
;
Xie, Daiqian
;
Dawes, Richard
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2015/11/16
Coriolis coupling effect of state-to-state quantum dynamics for He + HeH+
期刊论文
OAI收割
theoretical chemistry accounts, 2014, 卷号: 133, 期号: 10, 页码: 1552
作者:
Wu, Dan
;
Guo, Mingxing
;
Wang, Yun
;
Yin, Shuhui
;
Sun, Zhigang
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2015/11/16
Coriolis coupling effect
State-to-state
Time-dependent quantum wave packet
Reaction differential cross section
State-to-State Reaction Dynamics in Collision of Deuterium Molecule with Excited-State Nitrogen Atom
期刊论文
OAI收割
bulletin of the chemical society of japan, 2014, 卷号: 87, 期号: 6, 页码: 670-676
作者:
Lu, Rui
;
Chu, Tian-shu
;
Chang, Zhi-shang
;
Zhang, Wen-qing
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2015/11/16
Calculation of state-to-state cross sections for triatomic reaction by the multi-configuration time-dependent Hartree method
期刊论文
OAI收割
journal of chemical physics, 2014, 卷号: 140, 期号: 16, 页码: 164108
作者:
Zhao, Bin
;
Zhang, Dong-H
;
Lee, Soo-Y
;
Sun, Zhigang
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2015/11/16
Photochemical dynamics simulations for trans-cis photoisomerizations of azobenzene and bridged azobenzene
期刊论文
OAI收割
computational and theoretical chemistry, 2014, 卷号: 1031, 期号: 1, 页码: 13-21
作者:
Gao, Ai-Hua
;
Li, Bin
;
Zhang, Pei-Yu
;
Liu, Jianyong
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2014/09/11
Azobenzene
Bridged azobenzene
Surface hopping method
Dynamics simulations
Zhu-Nakamura theory
Quantum and quasi-classical dynamics of the OH + CO H + CO2 reaction on a new permutationally invariant neural network potential energy surface
期刊论文
OAI收割
journal of chemical physics, 2014, 卷号: 140, 期号: 4, 页码: 044327
作者:
Chen J(陈俊)
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2014/09/11
Catalytic properties of extraframework iron-containing species in ZSM-5 for N2O decomposition
期刊论文
OAI收割
journal of catalysis, 2013, 卷号: 308, 页码: 386-397
作者:
Li, Guanna
;
Pidko, Evgeny A.
;
Filot, Ivo A. W.
;
van Santen, Rutger A.
;
Li, Can
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2014/09/11
Fe/ZSM-5
DFT calculations
Zeolite
Reaction mechanism
Binuclear complexes
N2O decomposition
Microkinetic modeling