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CORC

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Experimental and Computational Analysis of the Solution and Solid-State Conformations of Hexadepsipeptides from Beauveria felina 期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2021, 页码: 7
作者:  Du, Feng-Yu;  Mandi, Attila;  Li, Xiao-Ming;  Meng, Ling-Hong;  Kurtan, Tibor
收藏  |  浏览/下载：51/0  |  提交时间：2022/02/18
Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes 期刊论文
ACS NANO, 2021, 卷号: 15
作者:  Yang, Kaishuai;  Liu, Dayong;  Qian, Zhengfang;  Jiang, Dongting;  Wang, Renheng
收藏  |  浏览/下载：36/0  |  提交时间：2022/03/21
Probing the reaction mechanism of acetylene hydrochlorination on metal-free doped boron nitride: Decisive role of carbon dopant 期刊论文
APPLIED SURFACE SCIENCE, 2021, 卷号: 566, 页码: 7
作者:  Si, Chaowei;  Lian, Zan;  Yang, Min;  Li, Bo
收藏  |  浏览/下载：30/0  |  提交时间：2021/11/22
A parallel orbital-updating based optimization method for electronic structure calculations 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2021, 卷号: 445, 页码: 17
作者:  Dai, Xiaoying;  Liu, Zhuang;  Zhang, Xin;  Zhou, Aihui
收藏  |  浏览/下载：7/0  |  提交时间：2022/04/02
Influence of Alloy Atoms on Substitution Properties of Hydrogen by Helium in ZrCoH3 期刊论文
MATERIALS, 2021, 卷号: 14
作者:  Wang, Panpan;  Cao, Qilong;  You, Yuwei;  Kong, Xiangshan;  Wu, Xuebang
收藏  |  浏览/下载：49/0  |  提交时间：2022/01/10
Unraveling surface functionalization of Cr2B2T2 (T = OH, O, Cl, H) MBene by first-principles calculations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2021, 卷号: 199, 页码: 7
作者:  Hu, Tao;  Wang, Mengting;  Wang, Xiaohui;  Zhou, Yanchun;  Li, Changming
收藏  |  浏览/下载：38/0  |  提交时间：2021/11/22
Evaluation and Spatial-Temporal Difference Analysis of Urban Water Resource Utilization Efficiency Based on Two-Stage DEA Model 期刊论文
IEEE TRANSACTIONS ON COMPUTATIONAL SOCIAL SYSTEMS, 2021, 页码: 15
作者:  Xie, Qiwei;  Ma, Hewen;  Zheng, Xiaolong;  Wang, Xiao;  Wang, Fei-Yue
收藏  |  浏览/下载：37/0  |  提交时间：2022/01/27
Verification of the on-the-fly global variance reduction technique on Monte Carlo global coupled neutron photon shielding calculations 期刊论文
FUSION ENGINEERING AND DESIGN, 2021, 卷号: 171
作者:  Zheng, Yu;  Qiu, Yuefeng;  Lu, Peng;  Chen, Yixue;  Fischer, Ulrich
收藏  |  浏览/下载：14/0  |  提交时间：2021/11/01
Long-term behavior of vacancy defects in Pu-Ga alloy: Effects of temperature and Ga concentration 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 卷号: 1204, 页码: 10
作者:  Xu, Lei;  Wang, Li-Fang;  Chen, Xin;  Gao, Xing-Yu;  Shang, Hong-Hui
收藏  |  浏览/下载：53/0  |  提交时间：2021/12/01
Forrestiacids A and B, Pentaterpene Inhibitors of ACL and Lipogenesis: Extending the Limits of Computational NMR Methods in the Structure Assignment of Complex Natural Products 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 页码: 7
作者:  Xiong, Juan;  Zhou, Peng-Jun;  Jiang, Hao-Wen;  Huang, Ting;  He, Yu-Hang
收藏  |  浏览/下载：89/0  |  提交时间：2021/11/04

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