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CORC

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Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun
收藏  |  浏览/下载：0/0  |  提交时间：2024/01/08
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
收藏  |  浏览/下载：10/0  |  提交时间：2023/02/03
Interaction and Mechanism between Imidazolium Ionic Liquids and the Zwitterionic Amino Acid Tyr: a DFT Study 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2021, 卷号: 37, 期号: 10, 页码: 10
作者:  Wu, Zhiwei;  Ding, Weilu;  Zhang, Yaqin;  Wang, Yanlei;  He, Hongyan
收藏  |  浏览/下载：21/0  |  提交时间：2021/08/31
Predicting nitrogen and oxygen kinetic isotope effects of nitrate reduction by periplasmic dissimilatory nitrate reductase 期刊论文
GEOCHIMICA ET COSMOCHIMICA ACTA, 2021, 卷号: 293, 页码: 224-239
作者:  He YY(何雨旸);  Zhang, Yining;  Zhang, Siting;  Liu, Yun
收藏  |  浏览/下载：31/0  |  提交时间：2021/03/03
Coarse-grained simulation of the translational and rotational diffusion of globular proteins by dissipative particle dynamics 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2020, 卷号: 153, 期号: 23, 页码: 234902
作者:  Wei JC(韦佳辰);  LiuYW;  Song F(宋凡)
收藏  |  浏览/下载：27/0  |  提交时间：2021/01/29
Theoretical Insights into the Effect of Cations, Anions, and Water on Fixation of CO(2)Catalyzed by Different Ionic Liquids 期刊论文
CHEMSUSCHEM, 2020, 页码: 11
作者:  Xia, Yangfeng;  Zhang, Yanqiang;  Su, Qian;  Dong, Kun
收藏  |  浏览/下载：8/0  |  提交时间：2020/10/30
反应-扩散调控材料成核过程的分子动力学模拟 学位论文
: 中国科学院大学, 2020
作者:  窦翔宇
收藏  |  浏览/下载：12/0  |  提交时间：2021/09/07
Exploring Conformational Change of Adenylate Kinase by Replica Exchange Molecular Dynamic Simulation 期刊论文
BIOPHYSICAL JOURNAL, 2020, 卷号: 118, 期号: 5, 页码: 1009-1018
作者:  Wang, Jinan;  Peng, Cheng;  Yu, Yuqu;  Chen, Zhaoqiang;  Xu, Zhijian
收藏  |  浏览/下载：41/0  |  提交时间：2020/07/01
Notable effect of water on excess electron attachment to aqueous DNA deoxyribonucleosides 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 17, 页码: 8925-8932
作者:  Zhang, Yan;  Wang, Jiayue;  Yang, Songqiu
收藏  |  浏览/下载：47/0  |  提交时间：2019/12/02
The effects of implicit modeling of nonpolar solvation on protein folding simulations 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 27, 页码: 18410-18419
作者:  
收藏  |  浏览/下载：8/0  |  提交时间：2019/01/08

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