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Intrinsic molecular vibration and rigorous vibrational assignment of benzene by first-principles molecular dynamics 期刊论文
SCIENTIFIC REPORTS, 2020, 卷号: 10, 期号: 1, 页码: 14
作者:  Wang, Shaoqing
收藏  |  浏览/下载:106/0  |  提交时间:2021/02/02
Ultrafast acoustic vibrations of Au-Ag nanoparticles with varying elongated structures 期刊论文
Physical Chemistry Chemical Physics, 2020, 卷号: 22, 期号: 39, 页码: 22728-22735
作者:  X. Zhao;  Z. G. Nie;  Y. H. Feng;  W. R. Zhao;  J. H. Zhang
收藏  |  浏览/下载:7/0  |  提交时间:2021/07/06
Structures and Infrared Spectra of [M(CO2)(7)](+) (M = V, Cr, and Mn) Complexes 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 17, 页码: 3703-3708
作者:  Yang, Dong;  Kong, Xiangtao;  Zheng, Huijun;  Su, Mingzhi;  Zhao, Zhi
收藏  |  浏览/下载:48/0  |  提交时间:2019/06/20
A combined experimental and density functional theory investigation of the hydrogen bonding of 2-cyclohexen-1-one and 3-methyl-2-cyclohexen-1-one in solvents 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: Vol.208, 页码: 32-39
作者:  Zhou, Hai Qiang;  Li, Lei;  Zhao, Yanying;  Wang, Hui Gang;  Zheng, Xuming
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/17
Infrared Spectroscopic and Theoretical Studies of the 3d Transition Metal Oxyfluoride Molecules 期刊论文
INORGANIC CHEMISTRY, 2019, 卷号: 58, 期号: 15, 页码: 9796-9810
作者:  Wei, R;  Fang, ZT;  Vasiliu, M;  Dixon, DA
收藏  |  浏览/下载:38/0  |  提交时间:2020/10/16
Theoretical explorations about the excited state behaviors for two novel high efficient ESIPT compounds 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng
收藏  |  浏览/下载:23/0  |  提交时间:2019/06/20
Theoretical explorations about the excited state behaviors for two novel high efficient esipt compounds 期刊论文
Structural chemistry, 2018, 卷号: 29, 期号: 6, 页码: 1817-1823
作者:  Wang, Yusheng;  Yang, Guang;  Zhang, Qiaoli;  Song, Xiaoyan;  Yang, Dapeng
收藏  |  浏览/下载:28/0  |  提交时间:2019/05/08
In Situ Synchrotron X-ray Diffraction and Raman Spectroscopy Studies of Gd@C-82-S-8 under High Pressure 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 20, 页码: 10992-10998
作者:  Xu, BG;  Dong, JQ;  Gao, XF;  Li, YC;  Sun, BY
收藏  |  浏览/下载:51/0  |  提交时间:2019/09/24
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:  Yang, Dapeng
收藏  |  浏览/下载:30/0  |  提交时间:2017/12/20
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Yang, Dapeng
收藏  |  浏览/下载:16/0  |  提交时间:2017/12/20


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