DICP OpenIR

Browse/Search Results:  1-9 of 9 Help

Selected(0)Clear Items/Page:    Sort:
Characterization of the Excited State on Methanol/TiO2(110) Interface 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 28, 期号: 2, 页码: 123-127
Authors:  Wang, Zhi-qiang;  Hao, Qun-qing;  Mao, Xin-chun;  Zhou, Chuan-yao;  Ma, Zhi-bo;  Ren, Ze-feng;  Dai, Dong-xu;  Yang, Xue-ming
Favorite  |  View/Download:52/0  |  Submit date:2015/11/17
Titanium Dioxide  Excited States  Two-photon Photoemission  Time-resolved  
A six-dimensional wave packet study of the vibrational overtone induced decomposition of hydrogen peroxide 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 136, 期号: 16, 页码: 1643141
Authors:  Wang, Chunrui;  Zhang, Dong H.;  Skodje, Rex T.;  Zhang DH(张东辉)
Adobe PDF(725Kb)  |  Favorite  |  View/Download:114/37  |  Submit date:2013/10/11
Ab Initio Calculations  Angular Momentum  Dissociation  Excited States  Hydrogen Compounds  Potential Energy Surfaces  Reaction Rate Constants  Rotational States  Vibrational States  
A Combined Gas-Phase Photoelectron Spectroscopic and Theoretical Study of Zeise's Anion and Its Bromine and Iodine Analogues 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2012, 卷号: 51, 期号: 26, 页码: 6356-6360
Authors:  Hou, Gao-Lei;  Wen, Hui;  Lopata, Kenneth;  Zheng, Wei-Jun;  Kowalski, Karol;  Govind, Niranjan;  Wang, Xue-Bin;  Xantheas, Sotiris S.
Favorite  |  View/Download:29/0  |  Submit date:2015/11/09
Ab Initio Calculations  Excited States  Organometallic Compounds  Photoelectron Spectroscopy  Zeise's Anion  
Effects of reagent vibrational excitation on the dynamics of the H+CHD3 -> H-2+CD3 reaction: A seven-dimensional time-dependent wave packet study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2011, 卷号: 135, 期号: 2
Authors:  Zhou, Yong;  Wang, Chunrui;  Zhang, Dong H.
Favorite  |  View/Download:15/0  |  Submit date:2015/11/12
Chemical Exchanges  Excited States  Hydrogen Neutral Atoms  Organic Compounds  Potential Energy Surfaces  Reaction Kinetics Theory  Reaction Rate Constants  Vibrational States  
Extensive Theoretical Study on Electronically Excited States and Predissociation Mechanisms of Sulfur Monoxide Including Spin-Orbit Coupling 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 卷号: 32, 期号: 8, 页码: 1577-1588
Authors:  Yu, Le;  Bian, Wensheng
Favorite  |  View/Download:12/0  |  Submit date:2015/11/12
Electronically Excited States  Spin-orbit Coupling  Predissociation  Curve Crossings  Spectroscopic Constants  
Time-dependent wavepacket investigation of state-to-state reactive scattering of Cl with para-H-2 including the open-shell character of the Cl atom 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2010, 卷号: 132, 期号: 3
Authors:  Sun, Zhigang;  Zhang, Dong H.;  Alexander, Millard H.
Favorite  |  View/Download:19/0  |  Submit date:2015/11/12
Chlorine  Coriolis Force  Excited States  Ground States  Hydrogen Neutral Atoms  Potential Energy Surfaces  Spin-orbit Interactions  
Extensive theoretical study on the low-lying electronic states of silicon monofluoride cation including spin-orbit coupling 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 卷号: 29, 期号: 2, 页码: 256-265
Authors:  Liu, Kun;  Bian, Wensheng
Favorite  |  View/Download:5/0  |  Submit date:2015/11/12
Excited States  Spin-orbit Coupling  Predissociation  Spectroscopic Constants  Curve Crossings  
A theoretical investigation of the excited states of OCIO radical, cation, and anion using the CASSCF/CASPT2 method 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2007, 卷号: 28, 期号: 2, 页码: 467-477
Authors:  Wei, Zi-Zhang;  Li, Bu-Tong;  Zhang, Hong-Xing;  Sun, Chia-Chung;  Han, Ke-Li
Favorite  |  View/Download:9/0  |  Submit date:2015/11/11
Excited States  Rydberg States  Casscf  Caspt2  
The v-v energy transfer of highly vibrationally excited states (II) - Vibrational quenching of CO(v) by H2O 期刊论文
CHINESE SCIENCE BULLETIN, 1998, 卷号: 43, 期号: 19, 页码: 1621-1625
Authors:  Wang, BS;  Gu, YS;  Li, Q;  Kong, F
Favorite  |  View/Download:15/0  |  Submit date:2015/11/09
Time-resolved Ir Spectra  Highly Vibrationally Excited States  Vibrational Energy Transfer