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To Be or Not To Be Protonated: cyclo-N-5(-) in Crystal and Solvent 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 24, 页码: 7137-7145
作者:  Zheng, Anmin;  Chen, Zhongfang;  Yi, Xianfeng;  Zhao, Yinghe;  Liu, Zhiqiang
收藏  |  浏览/下载：54/0  |  提交时间：2019/06/24
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：19/0  |  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
Viscosity calculation of 1-ethyl-3-methyl-imidazolium chloride ionic liquids based on three-body potential hydrogen bond model 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 271, 页码: 550-556
作者:  Jiang, Kun;  Liu, Xiaomin;  Huo, Feng;  Dong, Kun;  Zhang, Xiaochun
收藏  |  浏览/下载：44/0  |  提交时间：2019/04/03
Solvation effects on the N-O and O-H stretching modes in hydrated NO3-(H2O)(n) clusters 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 42, 页码: 26918-26925
作者:  Kong, Xiangtao;  Liu, Zhi-Feng;  Li, Huiyan;  Jiang, Ling
收藏  |  浏览/下载：37/0  |  提交时间：2019/06/20
Solvation effects on the n-o and o-h stretching modes in hydrated no3-(h2o)(n) clusters 期刊论文
Physical chemistry chemical physics, 2018, 卷号: 20, 期号: 42, 页码: 26918-26925
作者:  Li, Huiyan;  Kong, Xiangtao;  Jiang, Ling;  Liu, Zhi-Feng
收藏  |  浏览/下载：37/0  |  提交时间：2019/05/08
Tracking Ultrafast Bond Dissociation Dynamics at 0.1 angstrom Resolution by Femtosecond Extreme Ultraviolet Absorption Spectroscopy 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 19, 页码: 5742-5747
作者:  Tian, Li;  Loh, Zhi-Heng;  Yang, Minghui;  Lu, Yunpeng;  Li, Jialin
收藏  |  浏览/下载：36/0  |  提交时间：2018/12/03
Structural and electronic optimization of graphene encapsulating binary metal for highly efficient water oxidation 期刊论文
NANO ENERGY, 2018, 卷号: 52, 页码: 494-500
作者:  Ren, Pengju;  Bao, Xinhe;  Tu, Yunchuan;  Deng, Dehui
收藏  |  浏览/下载：29/0  |  提交时间：2019/06/20
Theoretical study on twisted intramolecular charge transfer of 1-aminoanthraquinone in different solvents 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 8
作者:  Sun, Si-Mei;  Zhang, Song;  Jiang, Chao;  Guo, Xiao-Shan;  Hu, Yi-Hui
收藏  |  浏览/下载：31/0  |  提交时间：2018/11/05
Ab initio molecular dynamics simulation on interfacial reaction behavior of Fe-Cr-Ni stainless steel in high temperature water 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 149, 页码: 143-152
作者:  Wang, HT;  Han, EH;  Wang, HT (reprint author), Chinese Acad Sci, Inst Met Res, CAS Key Lab Nucl Mat & Safety Assessment, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载：23/0  |  提交时间：2018/06/05

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