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Heavy N+ ion transfer in doubly charged N2Ar van der Waals cluster 期刊论文
NATURE COMMUNICATIONS, 2020, 卷号: 11, 期号: 1, 页码: 6
作者:  Zhu, XiaoLong;  Hu, XiaoQing;  Yan, ShunCheng;  Peng, YiGeng;  Feng, WenTian
收藏  |  浏览/下载:25/0  |  提交时间:2022/01/12
Structure and dynamics properties of liquid ethylene glycol from molecular dynamics simulations 期刊论文
CHEMICAL PHYSICS LETTERS, 2019, 卷号: 718, 页码: 12-21
作者:  Zhang, Nan;  Li, Ming-Ru;  Zhang, Feng-Shou
收藏  |  浏览/下载:20/0  |  提交时间:2019/04/02
In Situ Measure of Intrinsic Bond Strength in Crystalline Structures: Local Vibrational Mode Theory for Periodic Systems 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2019, 卷号: 15, 期号: 3, 页码: 1761-1776
作者:  Cremer, Dieter;  Tian, Chuan;  Qiu, Yue;  Verma, Niraj;  Sethio, Daniel
收藏  |  浏览/下载:46/0  |  提交时间:2019/11/10
Damaging Intermolecular Energy and Proton Transfer Processes in Alpha-Particle-Irradiated Hydrogen-Bonded Systems 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2018, 卷号: 57, 页码: 17023-17027
作者:  Xu, Shenyue;  Guo, Dalong;  Ma, Xinwen;  Zhu, Xiaolong;  Feng, Wentian
收藏  |  浏览/下载:99/0  |  提交时间:2019/03/27
A simulation study of water property changes using geometrical alteration in SPC/E 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 页码: 083103
作者:  Li, Ming-Ru;  Zhang, Nan;  Zhang, Feng-Shou
收藏  |  浏览/下载:24/0  |  提交时间:2018/10/08
Description of an unusual hydrogen bond between carborane and a phenyl group 期刊论文
JOURNAL OF ORGANOMETALLIC CHEMISTRY, 2018, 卷号: 865, 页码: 114-127
作者:  Zou, Wenli;  Zhang, Xiaolei;  Dai, Humin;  Yan, Hong;  Cremer, Dieter
收藏  |  浏览/下载:55/0  |  提交时间:2018/10/08
Computational investigation of the conformation transitions of DNA in modified water models 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 271, 页码: 175-181
作者:  Li, MR ;  Zhang, N ;  Zhang, FS
收藏  |  浏览/下载:17/0  |  提交时间:2019/08/13
First principle study of electronic structures and optical absorption properties of O and S doped graphite phase carbon nitride (g-C3N4)(6) quantum dots 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 页码: 11
作者:  Zhai Shun-Cheng;  Guo Ping;  Zheng Ji-Ming;  Zhao Pu-Ju;  Suo Bing-Bing
收藏  |  浏览/下载:30/0  |  提交时间:2018/05/31
All-Metal Aromatic Sandwich Binuclear Complexes: Electronic Structures, Aromaticity and Interactions with Hydrogen via Multicenter Bonds 期刊论文
CHEMISTRYSELECT, 2017, 卷号: 2, 页码: 6206-6211
作者:  Zhu, Haiyan;  Cao, Tingting;  Zhang, Qiyan;  Liang, Ximin;  Suo, Bingbing
收藏  |  浏览/下载:28/0  |  提交时间:2018/05/31


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