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First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 24
作者:  Li, Zhendong;  Suo, Bingbing;  Liu, Wenjian
收藏  |  浏览/下载：19/0  |  提交时间：2019/04/09
The adsorption of α-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: A density functional theory study 期刊论文
Journal of Chemical Physics, 2014, 卷号: 141, 期号: 23
作者:  Ma, Jin-Gang;  Zhang, Cai-Rong;  Gong, Ji-Jun;  Yang, Bing;  Zhang, Hai-Min
收藏  |  浏览/下载：11/0  |  提交时间：2020/11/14
The adsorption of alpha-cyanoacrylic acid on anatase TiO2 (101) and (001) surfaces: A density functional theory study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 141, 期号: 23
作者:  Ma, Jin-Gang;  Zhang, Cai-Rong;  Gong, Ji-Jun;  Yang, Bing;  Zhang, Hai-Min
收藏  |  浏览/下载：7/0  |  提交时间：2019/11/15
Structural and Magnetic Properties of CoGen- (n=2-11) Clusters: Photoelectron Spectroscopy and Density Functional Calculations 期刊论文
chemphyschem, 2014, 卷号: 15, 期号: 18, 页码: 3987-3993
作者:  Deng, Xiao-Jiao;  Kong, Xiang-Yu;  Xu, Xi-Ling;  Xu, Hong-Guang;  Zheng, Wei-Jun
收藏  |  浏览/下载：14/0  |  提交时间：2015/11/17
First-principles study of sulfur isotope fractionation in sulfides 期刊论文
EUROPEAN JOURNAL OF MINERALOGY, 2014, 卷号: 26, 期号: 6, 页码: 717-725
作者:  Liu, Shanqi;  Li, Yongbing;  Tian, Huiquan;  Yang, Junli;  Liu, Jianming
收藏  |  浏览/下载：20/0  |  提交时间：2018/09/26
Selfish punishment with avoiding mechanism can alleviate both first-order and second-order social dilemma 期刊论文
JOURNAL OF THEORETICAL BIOLOGY, 2014, 卷号: 361, 页码: 111-123
作者:  Cui, PB;  Wu, ZX
收藏  |  浏览/下载：16/0  |  提交时间：2016/03/29
Photoinduced excited state intramolecular proton transfer of 2-(2 '-hydroxyphenyl)phenanthro[9,10-d]oxazole: A comprehensive theoretical study 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2014, 卷号: 294, 页码: 14-19
作者:  Wang, Li;  Zhang, Yanxin;  Li, Yuanyuan;  He, Hongqing;  Zhang, Jinglai
收藏  |  浏览/下载：17/0  |  提交时间：2015/06/24
Emissivity Measurements of Foam-Covered Water Surface at L-Band for Low Water Temperatures 期刊论文
REMOTE SENSING, 2014, 卷号: 6, 期号: 11, 页码: 10913-10930
作者:  Wei, En-Bo;  Liu, Shu-Bo;  Wang, Zhen-Zhan;  Tong, Xiao-Lin;  Dong, Shuai
收藏  |  浏览/下载：23/0  |  提交时间：2015/06/11
Panel data partially linear model with fixed effects, spatial autoregressive error components and unspecified intertemporal correlation 期刊论文
JOURNAL OF MULTIVARIATE ANALYSIS, 2014, 卷号: 130, 页码: 64-89
作者:  Hu, Jianhua;  Liu, Fuxiang;  You, Jinhong
收藏  |  浏览/下载：6/0  |  提交时间：2019/08/22
Photoinduced coupled twisted intramolecular charge transfer and excited-state proton transfer via intermolecular hydrogen bonding: A DFT/TD-DFT study 期刊论文
chemical physics letters, 2014, 卷号: 610, 页码: 179-185
作者:  Wang, Dandan;  Lu, Rui;  Yuan, Minghu;  Chen, Junsheng;  Feng, Liqiang
收藏  |  浏览/下载：20/0  |  提交时间：2015/11/17

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