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CORC

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Computational Mechanistic Study of the Hydrogenation and Dehydrogenation Reactions Catalyzed by Cobalt Pincer Complexes 期刊论文
ORGANOMETALLICS, 2015, 卷号: 34, 期号: 24, 页码: 5716-5722
作者:  Jing, Yuanyuan;  Chen, Xiangyang;  Yang, Xinzheng
收藏  |  浏览/下载：22/0  |  提交时间：2016/03/14
Analyses of the influences of molecular vacancy defect on the geometrical structure, electronic structure, and vibration characteristics of Hexogeon energetic material 期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 期号: 24
作者:  Jiang Yan-Xue;  Peng Ya-Jing
收藏  |  浏览/下载：177/0  |  提交时间：2019/06/20
Effect of Reagent Vibrational Excitation on the Dynamics of F + H-2(v=1, j=0) -> HF(v ', j ') plus H Reaction 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 50, 页码: 12284-12290
作者:  Yang, Tiangang;  Huang, Long;  Wang, Tao;  Xiao, Chunlei;  Xie, Yurun
收藏  |  浏览/下载：12/0  |  提交时间：2019/06/20
Theoretical investigation of the effects of impurity on the properties of Nb2GeC 期刊论文
ACTA PHYSICA SINICA, 2015, 卷号: 64, 页码: 7
作者:  Chen Jun-Jun;  Duan Ji-Zheng;  Zhang Xue-Zhi;  Jiang Xin;  Duan Wen-Shan
收藏  |  浏览/下载：10/0  |  提交时间：2018/05/31
Structural stability and Lewis acidity of tetravalent Ti, Sn, or Zr-linked interlayer-expanded zeolite COE-4: A DFT study 期刊论文
microporous and mesoporous materials, 2015, 卷号: 218, 页码: 160-166
作者:  Li, Haichao;  Wang, Juan;  Zhou, Danhong;  Tian, Dongxu;  Shi, Chuan
收藏  |  浏览/下载：33/0  |  提交时间：2015/11/17
Molecular-Level Investigation of the Adsorption Mechanisms of Toluene and Aniline on Natural and Organically Modified Montmorillonite 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2015, 卷号: 119, 期号: 45, 页码: 11199-11207
作者:  Hou, Xin-Juan;  Li, Huiquan;  He, Peng;  Li, Shaopeng;  Liu, Qinfu
收藏  |  浏览/下载：21/0  |  提交时间：2015/12/21
Assessment of DFT Methods for Computing Activation Energies of Mo/W-Mediated Reactions 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 卷号: 11, 期号: 10, 页码: 4601-4614
作者:  Hu, Lianrui;  Chen, Hui
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/17
Two dimetallocenes with vanadium and chromium: Electronic structures and their promising application in hydrogen storage 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2015, 卷号: 40, 页码: 12047-12056
作者:  Meng, Yong;  Han, Ying;  Zhu, Haiyan;  Yang, Zhanying;  Shen, Kaiyuan
收藏  |  浏览/下载：23/0  |  提交时间：2018/05/31
A theoretical study on bond dissociation enthalpies of coal based model compounds 期刊论文
fuel, 2015, 卷号: 153, 页码: 70-77
作者:  Li, Lu;  Fan, Hongjun;  Hu, Haoquan
收藏  |  浏览/下载：17/0  |  提交时间：2015/11/17
Reaction Behaviors and Kinetics during Induction Period of Methanol Conversion on HZSM-5 Zeolite 期刊论文
acs catalysis, 2015, 卷号: 5, 期号: 7, 页码: 3973-3982
作者:  Qi, Liang;  Wei, Yingxu;  Xu, Lei;  Liu, Zhongmin
收藏  |  浏览/下载：17/0  |  提交时间：2015/11/17

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