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Theoretical insights into the uranyl adsorption behavior on vanadium carbide mxene 期刊论文
Applied surface science, 2017, 卷号: 426, 页码: 572-578
作者:  Zhang, Yu-Juan;  Zhou, Zhang-Jian;  Lan, Jian-Hui;  Ge, Chang-Chun;  Chai, Zhi-Fang
收藏  |  浏览/下载：77/0  |  提交时间：2019/04/23
Theoretical investigation on ESIPT mechanism for a novel Sal-3,4-benzophen system 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2017, 卷号: 16, 期号: 8
作者:  Lv, Jian;  Yang, Dapeng
收藏  |  浏览/下载：21/0  |  提交时间：2019/06/20
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:  Yang, Dapeng;  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng
收藏  |  浏览/下载：32/0  |  提交时间：2017/12/20
A theoretical assignment on excited-state intramolecular proton transfer mechanism for quercetin 期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2017, 卷号: 30, 期号: 11
作者:  Yang, Guang;  Zhao, Jinfeng;  Zheng, Rui;  Wang, Yusheng;  Yang, Dapeng
收藏  |  浏览/下载：16/0  |  提交时间：2017/12/20
Dft and experimental analysis of aluminium chloride as a lewis acid proton carrier catalyst for dimethyl carbonate carboxymethylation of alcohols 期刊论文
Catalysis science & technology, 2017, 卷号: 7, 期号: 20, 页码: 4859-4865
作者:  Jin, Saimeng;  Tian, Yin;  McElroy, Con Robert;  Wang, Dongqi;  Clark, James H.
收藏  |  浏览/下载：30/0  |  提交时间：2019/04/23
P-31 NMR Chemical Shifts of Phosphorus Probes as Reliable and Practical Acidity Scales for Solid and Liquid Catalysts 期刊论文
CHEMICAL REVIEWS, 2017, 卷号: 117, 期号: 19, 页码: 12475-12531
作者:  Liu, Shang-Bin;  Zheng, Anmin;  Deng, Feng
收藏  |  浏览/下载：17/0  |  提交时间：2017/12/06
Modeling sigma-Bond Activations by Nickel(0) Beyond Common Approximations: How Accurately Can We Describe Closed-Shell Oxidative Addition Reactions Mediated by Low-Valent Late 3d Transition Metal? 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4841-4853
作者:  Hu, Lianrui;  Chen, Kejuan;  Chen, Hui
收藏  |  浏览/下载：19/0  |  提交时间：2018/07/03
Elaborating the excited-state proton transfer behaviors for novel 3H-MC and P2H-CH 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2017, 卷号: 4, 期号: 10, 页码: 1935-1942
作者:  Song, Nahong;  Zheng, Rui;  Wang, Yusheng;  Yang, Dapeng;  Zhao, Jinfeng
收藏  |  浏览/下载：17/0  |  提交时间：2017/12/20
Elaborating the excited-state proton transfer behaviors for novel 3H-MC and P2H-CH 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2017, 卷号: 4, 期号: 10, 页码: 1935-1942
作者:  
收藏  |  浏览/下载：20/0  |  提交时间：2017/12/20
New methods for prediction of elastic constants based on density functional theory combined with machine learning 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 138, 页码: 135-148
作者:  Wang, Juan;  Yang, Xiaoyu;  Zeng, Zhi;  Zhang, Xiaoli;  Zhao, Xushan
收藏  |  浏览/下载：31/0  |  提交时间：2018/08/16

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