DICP OpenIR

Browse/Search Results:  1-10 of 223 Help

Selected(0)Clear Items/Page:    Sort:
乙炔高温裂解的从头算动力学模拟 期刊论文
化学物理学报, 2018, 卷号: 031, 期号: 006, 页码: 761
Authors:  Wang Endong;  Li Guangyue;  Ding Junxia;  He Guozhong
Favorite  |  View/Download:0/0  |  Submit date:2019/12/02
New Insights into the Dual Fluorescence of Methyl Salicylate: Effects of Intermolecular Hydrogen Bonding and Solvation 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2015, 卷号: 119, 期号: 6, 页码: 2125-2131
Authors:  Zhou, Panwang;  Hoffmann, Mark R.;  Han, Keli;  He, Guozhong
Favorite  |  View/Download:18/0  |  Submit date:2015/11/17
Quantum dynamics study of H + DBr and D + HBr reaction 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 1, 页码: 2367
Authors:  Zhang AJ(张爱杰);  JianFengJia;  HaiShunWu;  He GZ(何国钟)
Adobe PDF(1112Kb)  |  Favorite  |  View/Download:72/29  |  Submit date:2015/11/16
The Photoisomerization of 11-cis-Retinal Protonated Schiff Base in Gas Phase: Insight from Spin-Flip Density Functional Theory 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2014, 卷号: 35, 期号: 2, 页码: 109-120
Authors:  Zhou, Panwang;  Liu, Jianyong;  Han, Keli;  He, Guozhong;  Han KL(韩克利)
Adobe PDF(806Kb)  |  Favorite  |  View/Download:66/46  |  Submit date:2015/11/16
Spin-flip Density Functional Theory  Photoisomerization  Psb3  Psb11  
Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2013, 卷号: 1023, 页码: 10-18
Authors:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong;  Liu JY(刘建勇)
Adobe PDF(2157Kb)  |  Favorite  |  View/Download:101/25  |  Submit date:2014/09/11
Nonadiabatic Dynamics  Photo-isomerization  Zhu-nakamura Theory  Bridged-azobenzene  Time-dependent Density Functional Tight-binding Method  
Detailed Temperature-dependent Study of n-Heptane Pyrolysis at High 期刊论文
Chinese Journal of Chemical Physics(中国期刊), 2013, 卷号: 26, 期号: 3, 页码: 329
Authors:  Ding JX(丁俊霞);  He GZ(何国钟);  Zhang L(张亮)
Adobe PDF(1367Kb)  |  Favorite  |  View/Download:136/38  |  Submit date:2014/09/11
Mechanisms of ultrafast fluorescence depletion spectroscopy and applications to measure slovation dynamics of coummarin 153 in methanol 期刊论文
JOURNAL OF LUMINESCENCE, 2012, 卷号: 132, 期号: 9, 页码: 2275-2280
Authors:  Yang, Songqiu;  Liu, Jianyong;  Zhou, Panwang;  Chen, Junsheng;  Han, Keli;  He, Guozhong
Favorite  |  View/Download:20/0  |  Submit date:2015/11/13
Fluorescence Depletion Spectroscopy  Stimulated Emission  Fluorescence Up-conversion  Time-resolved Solvation Dynamics  Coumarin 153  
Band gap narrowing of TiO2 by compensated codoping for enhanced photocatalytic activity 期刊论文
JOURNAL OF NATURAL GAS CHEMISTRY, 2012, 卷号: 21, 期号: 3, 页码: 302-307
Authors:  Huang, Jindou;  Wen, Shuhao;  Liu, Jianyong;  He, Guozhong;  Liu JY(刘建勇)
Adobe PDF(1386Kb)  |  Favorite  |  View/Download:219/42  |  Submit date:2013/10/11
Hybrid Dft  Tio2 Codoping  Thermodynamic Stability  Band Gap  Photocatalysts  
Quantum dynamical study of the electronic nonadiabaticity in the D + DBr->Br(Br*) + D2 reaction on new diabatic potential energy surfaces 期刊论文
Journal of Chemical Physics, 2012, 卷号: 137, 期号: 19, 页码: 1943051
Authors:  Zhang AJ(张爱杰);  Zhang PY(张佩宇);  Chu TS(楚天舒);  Han KL(韩克利);  He GZ(何国钟)
Adobe PDF(947Kb)  |  Favorite  |  View/Download:156/37  |  Submit date:2013/10/11
Exact quantum scattering study of the H + HS reaction on a new ab initio potential energy surface H2S(3A) 期刊论文
Journal of Chemical Physics, 2012, 卷号: 136, 页码: 943081
Authors:  Lv SJ(吕双江);  Zhang PY(张佩宇);  Han KL(韩克利);  He GZ(何国钟)
Adobe PDF(2077Kb)  |  Favorite  |  View/Download:152/29  |  Submit date:2013/10/11