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CORC

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Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8
作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang
收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01
Enhanced Oxygen Evolution Reaction for Single Atomic Co Catalyst via Support Modification: A Density Functional Theory Design Predication 期刊论文
INORGANIC CHEMISTRY, 2018, 卷号: 57, 期号: 20, 页码: 13020-13026
作者:  Chen, Chunting;  Chen, Guilin;  Kong, Xiangkai
收藏  |  浏览/下载：16/0  |  提交时间：2019/12/25
How Partial Atomic Charges and Bonding Orbitals Affect the Reactivity of Aluminum Clusters with Water? 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 卷号: 122, 期号: 12, 页码: 3107-3114
作者:  Pembere, Anthony M. S.;  Liu, Xianhu;  Ding, Weihua;  Luo, Zhixun
收藏  |  浏览/下载：18/0  |  提交时间：2019/04/09
Application of seu imaging for analysis of device architecture using a 25 mev/u kr-86 ion microbeam at hirfl 期刊论文
Nuclear instruments & methods in physics research section b-beam interactions with materials and atoms, 2017, 卷号: 404, 页码: 254-258
作者:  Liu, Tianqi;  Yang, Zhenlei;  Guo, Jinlong;  Du, Guanghua;  Tong, Teng
收藏  |  浏览/下载：87/0  |  提交时间：2019/04/23
Electrochemical Oxidation of Phenolic Compounds at Boron-Doped Diamond Anodes: Structure-Reactivity Relationships 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017
Jiang, Yi; Zhu, Xiuping; Xing, Xuan
收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03
Atomic-scale marriage of light-harvesting and charge-storing components for efficient photoenergy storage catalysis 期刊论文
NANO ENERGY, 2016, 卷号: 28, 页码: 407-416
作者:  Xu, Yingfeng;  Lu, Ping;  Chen, Lisong;  Zhang, Chen;  Zhang, Lingxia
收藏  |  浏览/下载：23/0  |  提交时间：2017/02/24
The impacts of surface polarity on the solubility of nanoparticle 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 4
作者:  Zhu, JZ;  Ou XW(欧新文);  Li JY(李敬源);  Ou, XW;  Su, JG
收藏  |  浏览/下载：10/0  |  提交时间：2017/07/24
Molecular dynamics simulation of shape and structure evolution of preassembled cylindrical cetyltrimethylammonium bromide micelles induced by octanol 期刊论文
Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2014, 卷号: 457, 页码: 152-159
作者:  Jia, Xiangfeng;  Chen JF(陈景飞);  Wang BG(王宝刚);  Liu WM(刘维民);  Hao JC(郝京诚)
收藏  |  浏览/下载：17/0  |  提交时间：2015/10/23
Spectroscopic study and electronic structure of prototypical iron porphyrins and their mu-oxo-dimer derivatives with different functional configurations 期刊论文
RSC ADVANCES, 2014, 卷号: 4, 期号: 87, 页码: 46399-46406
作者:  Xu W(徐伟);  Xu, W;  Dziedzic-Kocurek, K;  Yu, M;  Wu, Z
收藏  |  浏览/下载：18/0  |  提交时间：2016/04/08
A QSPR approach for the fast estimation of DFT/NBO partial atomic charges 期刊论文
8th Colloquium on Chemiometricum Mediterraneum (CCM), 2014, 卷号: 134, 页码: 158-163
作者:  Zhang, Qingyou[1];  Zheng, Fangfang[2];  Fartaria, Rui[3];  Latino, Diogo A. R. S.[4];  Qu, Xiaohui[5]
收藏  |  浏览/下载：2/0  |  提交时间：2019/12/23

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