CORC

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CORC

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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
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
Hydrogen trapping in MAX phase Ti3SiC2: Insight from chemical bonding by density functional theory 期刊论文
EPL, 2017, 卷号: 118
作者:  Zhang, H. F.;  Ren, X. L.;  Zhang, J. Y.;  Huang, J.;  Xu, C. H.
收藏  |  浏览/下载：9/0  |  提交时间：2018/07/16
Effect of H and He on the mechanical properties of Ti3SiC2: the first-principles calculation 期刊论文
ACTA PHYSICA SINICA, 2016, 卷号: 65, 页码: 6
作者:  Yao Bao-Dian;  Hu Gui-Qing;  Yu Zhi-Shui;  Zhang Hui-Fen;  Shi Li-Qun
收藏  |  浏览/下载：12/0  |  提交时间：2018/05/31
Tunable dipole induced hydrogen bonds between a hydrogen molecule and alkali halides 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2015, 卷号: 17, 页码: 20361-20367
作者:  Zhu, Haiyan;  Huang, Bolong;  Li, Jianfu;  Jiang, Zhenyi;  Wang, Bo
收藏  |  浏览/下载：18/0  |  提交时间：2018/05/31
Deuterium Retention in the Co-Deposition Carbon Layers Deposited by Radio-Frequency Magnetron Sputtering in D-2 Atmosphere 期刊论文
CHINESE PHYSICS LETTERS, 2014, 卷号: 31
作者:  Zhang Wei-Yuan;  Shi Li-Qun;  Zhang Bin;  Hu Jian-Sheng
收藏  |  浏览/下载：8/0  |  提交时间：2018/07/05
Effect of hydrogen-doping on bonding properties of Ti3SiC2 期刊论文
PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 页码: 4460-4465
作者:  Ou, X. D.;  Wang, Y. X.;  Shi, L. Q.;  Ding, W.;  Wang, M.
收藏  |  浏览/下载：6/0  |  提交时间：2018/05/31
Synthesis and structural studies of 4-[(5-methoxy-1H-indole-3-yl)-methylene]-3-methyl-isoxazole-5-one by X-ray crystallography, NMR spectroscopy, and DFT calculations 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2011, 卷号: 994, 页码: 371-378
作者:  Zhang, X. H.;  Wang, L. Y.;  Zhan, Y. H.;  Fu, Y. L.;  Zhai, G. H.
收藏  |  浏览/下载：14/0  |  提交时间：2018/05/31
Heterocomplementary H-Bonding RAFT Agents as Tools for the Preparation of Supramolecular Miktoarm Star Copolymers 期刊论文
MACROMOLECULES, 2010, 卷号: 43, 页码: 5981-5988
作者:  Chen, Senbin;  Bertrand, Arthur;  Chang, Xijun;  Alcouffe, Pierre;  Ladaviere, Catherine
收藏  |  浏览/下载：9/0  |  提交时间：2018/07/16
The solvation of NaCl in model water with different hydrogen bond strength 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 页码: 7
作者:  Gu, B.;  Zhang, F. S.;  Wang, Z. P.;  Zhou, H. Y.
收藏  |  浏览/下载：17/0  |  提交时间：2018/05/31

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