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CORC

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Combination Rules and Accurate van der Waals Force Field for Gas Uptakes in Porous Materials 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 36, 页码: 7847-7854
作者:  Yang, Li;  Sun, Lei;  Deng, Wei-Qiao
收藏  |  浏览/下载：55/0  |  提交时间：2019/12/02
Adsorption Structure and Coverage-Dependent Orientation Analysis of Sub-Monolayer Acetonitrile on TiO2(110) 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2019, 卷号: 123, 期号: 29, 页码: 17915-17924
作者:  Zhang, Ruidan;  Dong, Jichao;  Luo, Ting;  Tang, Fujie;  Peng, Xingxing
收藏  |  浏览/下载：68/0  |  提交时间：2019/12/02
A theoretical investigation on the structures of (NH3)center dot(H2SO4)center dot(H2O)(0-14) clusters 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun
收藏  |  浏览/下载：39/0  |  提交时间：2019/06/20
A theoretical investigation on the structures of (nh3)center dot(h2so4)center dot(h2o)(0-14) clusters 期刊论文
International journal of quantum chemistry, 2019, 卷号: 119, 期号: 7, 页码: 21
作者:  Xu, Zhen-Zhen;  Fan, Hong-Jun
收藏  |  浏览/下载：74/0  |  提交时间：2019/05/08
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 211, 页码: 203-211
作者:  Liu, Jianyong;  Zhao, Li;  Zhou, Panwang
收藏  |  浏览/下载：67/0  |  提交时间：2019/06/20
Does the wavelength dependent photoisomerization process of the p-coumaric acid come out from the electronic state dependent pathways? 期刊论文
Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 211, 页码: 203-211
作者:  Zhao, Li;  Liu, Jianyong;  Zhou, Panwang
收藏  |  浏览/下载：70/0  |  提交时间：2019/05/08
Ionization and Electron Attachment for Nucleobases in Water 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2019, 卷号: 123, 期号: 6, 页码: 1237-1247
作者:  Xie, Peng;  Zhang, Yan;  Yang, Songqiu;  Han, Keli
收藏  |  浏览/下载：20/0  |  提交时间：2019/06/20
Ionization and electron attachment for nucleobases in water 期刊论文
Journal of physical chemistry b, 2019, 卷号: 123, 期号: 6, 页码: 1237-1247
作者:  Zhang, Yan;  Xie, Peng;  Yang, Songqiu;  Han, Keli
收藏  |  浏览/下载：37/0  |  提交时间：2019/05/08
Unexpected Chemistry from the Homogeneous Thermal Decomposition of Acetylene: An ab initio Study 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 31, 期号: 6, 页码: 761-766
作者:  Ding, Jun-xia;  Wang, En-dong;  Li, Guang-yue;  He, Guo-zhong
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
Unexpected chemistry from the homogeneous thermal decomposition of acetylene: an ab initio study 期刊论文
Chinese journal of chemical physics, 2018, 卷号: 31, 期号: 6, 页码: 761-766
作者:  Wang, En-dong;  Li, Guang-yue;  Ding, Jun-xia;  He, Guo-zhong
收藏  |  浏览/下载：46/0  |  提交时间：2019/05/08

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