DICP OpenIR

Browse/Search Results:  1-10 of 20 Help

Selected(0)Clear Items/Page:    Sort:
Molecular high-order harmonic spectra and its application to the generation of the isolated attosecond pulse 期刊论文
JOURNAL OF MOLECULAR MODELING, 2016, 卷号: 22, 期号: 12
Authors:  Feng, Li-Qiang;  Liu, Hang;  Li, Wenliang;  Castle, Rich-Samuel
Favorite  |  View/Download:16/0  |  Submit date:2017/10/29
Attosecond Pulse  Half-cycle Pulse  Internuclear Distance r  Molecular High-order Harmonic Spectra  Spatial Inhomogeneous Effect  
Theoretical investigation of the asymmetric molecular harmonic emission and the attosecond pulse generation 期刊论文
JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 3
Authors:  Feng, Li-Qiang;  Liu, Hang
Favorite  |  View/Download:19/0  |  Submit date:2015/11/17
Isolated Attosecond Pulse  Laser-induced Electron Transfer  Molecular High-order Harmonic Generation  Vibrational State Effect  
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:71/29  |  Submit date:2015/11/16
Exploring the interactions between isoprenoid chain and labdenediol diphosphate synthase based on molecular docking and quartz crystal microbalance 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 12, 页码: 2527
Authors:  Liu, Wujun;  Yang, Wei;  Zhang, Yixin;  Zhao, Zongbao Kent;  Liu WJ(刘武军)
Adobe PDF(2772Kb)  |  Favorite  |  View/Download:55/22  |  Submit date:2015/11/16
Homology Modeling  Isoprenoid Chain  Labdenediol Diphosphate Synthase  Molecular Docking  Quartz Crystal Microbalance  
Quantum dynamics study of H plus DBr and D plus HBr reaction 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 9
Authors:  Zhang, Ai Jie;  Jia, JianFeng;  Wu, Hai Shun;  He, Guo Zhong
Favorite  |  View/Download:16/0  |  Submit date:2015/11/17
Nonadiabatic Effect  Potential Energy Surface  Time-dependent Wave-packet  
Theoretical study on the structures and properties of mixtures of urea and choline chloride 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 6, 页码: 2433-2441
Authors:  Sun, Hui;  Li, Yan;  Wu, Xue;  Li, Guohui;  Li GH(李国辉)
Adobe PDF(925Kb)  |  Favorite  |  View/Download:143/67  |  Submit date:2014/09/11
Deep Eutectic Solvent  Dynamic Structure  Property  Molecular Dynamic Simulation  
Calixarene building block bis(2-hydroxyphenyl)methane (2HDPM) and hydrogen-bonded 2HDPM-H2O complex in electronic excited state 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 4, 页码: 1913-1918
Authors:  Wang, Se;  Hao, Ce;  Gao, Zhanxian;  Chen, Jingwen;  Qiu, Jieshan
Favorite  |  View/Download:11/0  |  Submit date:2015/11/09
Excited State  Infrared Spectra  Intermolecular Hydrogen Bond  Intramolecular Hydrogen Bond  Tddft  
Coarse-grained simulations for organic molecular liquids based on Gay-Berne and electric multipole potentials 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 2, 页码: 551-558
Authors:  Xu, Peijun;  Shen, Hujun;  Yang, Lu;  Ding, Yang;  Li, Beibei;  Shao, Ying;  Mao, Yingchen;  Li, Guohui;  Yingchen Mao;  Li GH(李国辉)
Adobe PDF(444Kb)  |  Favorite  |  View/Download:162/49  |  Submit date:2014/09/11
Ab Initio Qm  Amoeba Force Field  Coarse-grained Model  Diffusion Coefficient  Radial Distribution Function  
Intensity enhancement in the molecular ionization and dissociation dynamics in the presence of noise 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 12, 页码: 5097-5106
Authors:  Feng, Li-Qiang;  Chu, Tian-Shu;  Chu TS(楚天舒)
Adobe PDF(832Kb)  |  Favorite  |  View/Download:111/27  |  Submit date:2013/10/11
Ionization Probability  Dissociation Probability  Gaussian White Noise  Color Noise  
Vector correlations in the F plus HO -> HF plus O reaction and its isotopic variant 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 7, 页码: 3283-3289
Authors:  Zhao, Dan;  Chu, TianShu;  Hao, Ce
Favorite  |  View/Download:16/0  |  Submit date:2015/11/13
Isotopic Effect  Quasi-classical Trajectory  Stereodynamics  Vector Correlations