DICP OpenIR

Browse/Search Results:  1-10 of 169 Help

Selected(0)Clear Items/Page:    Sort:
An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 卷号: 40, 期号: 10, 页码: 1151-1160
Authors:  Xu, Xin;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
potential energy surface  differential cross sections  H-2 + SH  quantum dynamics  time-dependent wave packet  
Blocking backward reaction on hydrogen evolution cocatalyst in a photosystem II hybrid Z-scheme water splitting system 期刊论文
CHINESE JOURNAL OF CATALYSIS, 2019, 卷号: 40, 期号: 4, 页码: 486-494
Authors:  Li, Zhen;  Qi, Yu;  Wang, Wangyin;  Li, Deng;  Li, Zheng;  Xiao, Yanan;  Han, Guangye;  Shen, Jian-Ren;  Li, Can
Favorite  |  View/Download:5/0  |  Submit date:2019/06/20
Water splitting  Cocatalyst  Backward reaction  Hydrogen oxidation  Photosystem II  
Crossed Beam Study on the F+D-2 -> DF+D Reaction at Hyperthermal Collision Energy of 23.84 kJ/mol 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 1, 页码: 151-156
Authors:  Wang, Hei-long;  Su, Shu;  Yu, Sheng-rui;  Che, Li;  Wu, Guo-rong;  Yuan, Kai-jun;  Yang, Xue-ming;  Minton, Timothy K.
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Crossed molecular beam  Hyperthermal collision energy  Rydberg tagging  laser detonation  
Crossed Molecular Beam Study of the F+D-2 (v=1, j=0) Reaction 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 32, 期号: 1, 页码: 72-76
Authors:  Huang, Long;  Xie, Yu-run;  Yang, Tian-gang;  Wang, Tao;  Dai, Dong-xu;  Xiao, Chun-lei;  Yang, Xue-ming
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Stimulated Raman pumping  D-2  vibrational excitation  Molecular beam  Forward scattering  
A detailed theoretical study on the excited-state hydrogen-bonding dynamics and the proton transfer mechanism for a novel white-light fluorophore 期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 卷号: 66, 期号: 1, 页码: 56-61
Authors:  Gao, Haiyan;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
frontier molecular orbital  infrared spectra  intramolecular hydrogen bond  potential energy curves  proton transfer  
An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H + H2O2 two-channel reaction 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 23095-23105
Authors:  Lu, Xiaoxiao;  Shao, Kejie;  Fu, Bina;  Wang, Xingan;  Zhang, Dong H.
Favorite  |  View/Download:1/0  |  Submit date:2019/06/20
State-to-state dynamics of F(P-2) + HO((2)Pi) -> O(P-3)+ HF((1)Sigma(+)) reaction on 1(3)A '' potential energy surface 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 2
Authors:  Zhao, Juan;  Wu, Hui;  Sun, Hai-Bo;  Wang, Li-Fei
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
State-to-state Quantum Dynamics  Time-dependent Wave Packet  Differential Cross Section  f(P-2) + Ho((2)Pi)  
A new potential energy surface of the OH2+ system and state-to-state quantum dynamics studies of the O++ H-2 reaction 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 2, 页码: 1039-1050
Authors:  Li, Wentao;  Yuan, Jiuchuang;  Yuan, Meiling;  Zhang, Yong;  Yao, Minghai;  Sun, Zhigang
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Crossed Molecular Beam Study of H-ECH4 and H+CD4 Reactions: Vibrationally Excited CH3/CD3 Product Channelst 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 30, 期号: 6, 页码: 609-613
Authors:  Chen, Wen-tao;  Yu, Sheng-rui;  Yuan, Dao-fu;  Xie, Ting;  Yang, Jia-yue;  Wang, Si-wen;  Luo, Chang;  Tan, Yu-xin;  Miao, Yue;  Zhang, Wei-qing;  Wu, Guo-rong;  Yang, Xue-ming;  Wang, Xing-an
Favorite  |  View/Download:3/0  |  Submit date:2019/06/20
Velocity Map Ion Imaging  Crossed Molecular Beam  Angular Distribution  Vibrationally Excited State  
A review of dynamical resonances in A plus BC chemical reactions 期刊论文
REPORTS ON PROGRESS IN PHYSICS, 2017, 卷号: 80, 期号: 2
Authors:  Ren, Zefeng;  Sun, Zhigang;  Zhang, Donghui;  Yang, Xueming
Favorite  |  View/Download:18/0  |  Submit date:2017/10/29
Transition State  Reactive Resonance  Feshbach Resonance  Shape Resonance  Potential Energy Surface  Crossed Beam Scattering  Quantum Wave-packet Method