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CORC

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Performance of time-dependent density functional theory on twisted intramolecular charge transfer state of emerging visible light photoswitches 期刊论文
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2019, 卷号: 371, 页码: 336-340
作者:  Liu, Yan;  Luo, Jian
收藏  |  浏览/下载：35/0  |  提交时间：2019/06/20
Performance of time-dependent density functional theory on twisted intramolecular charge transfer state of emerging visible light photoswitches 期刊论文
Journal of photochemistry and photobiology a-chemistry, 2019, 卷号: 371, 页码: 336-340
作者:  Liu, Yan;  Luo, Jian
收藏  |  浏览/下载：65/0  |  提交时间：2019/05/08
Cation-anion radical interactions between halopyridinium cations and metal dithiolene complexes [M(C2S2)(2)CN](-center dot): A theoretical study of halogen bonds in conducting or magnetic molecular materials 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2016, 卷号: 116, 期号: 24, 页码: 1872-1881
作者:  Zhao, Chengxi;  Lu, Yunxiang;  Wang, Guimin;  Zhu, Weiliang
收藏  |  浏览/下载：24/0  |  提交时间：2019/01/08
Mechanism and Selectivity in the Pd-Catalyzed Difunctionalization of Isoprene 期刊论文
JOURNAL OF ORGANIC CHEMISTRY, 2016
Xu, Liping; Zhang, Xin; McCammant, Matthew S.; Sigman, Matthew S.; Wu, Yun-Dong; Wiest, Olaf
收藏  |  浏览/下载：7/0  |  提交时间：2017/12/03
Computational Exploration of Rh-III/Rh-V and Rh-III/Rh-I Catalysis in Rhodium(III)-Catalyzed C-H Activation Reactions of N-Phenoxyacetamides with Alkynes 期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2016
Yang, Yun-Fang; Houk, K. N.; Wu, Yun-Dong
收藏  |  浏览/下载：5/0  |  提交时间：2017/12/03
assessmentofcontemporarytheoreticalmethodsforbonddissociationenthalpies 期刊论文
chinesejournalofchemicalphysics, 2016, 卷号: 000, 期号: 004, 页码: 453
作者:  Li Lu;  Fan Hongjun;  Hu Haoquan
收藏  |  浏览/下载：12/0  |  提交时间：2019/12/02
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
Comparative Assessment of DFT Performances in Ru- and Rh-Promoted 6-Bond Activations 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 卷号: 11, 期号: 4, 页码: 1428-1438
作者:  Sun, Yuanyuan;  Hu, Lianrui;  Chen, Hui
收藏  |  浏览/下载：11/0  |  提交时间：2015/11/03
Performance of Twelve Density Functional Theory Methods in the Characterization of Three Trivalent Uranium Complexes 期刊论文
ACTA PHYSICO-CHIMICA SINICA, 2015, 卷号: 31, 期号: 7, 页码: 1283-1301
作者:  Ding, WJ;  Fang, WH;  Chai ZF(柴之芳);  Wang DQ(王东琪);  Chai, ZF
收藏  |  浏览/下载：18/0  |  提交时间：2016/04/18
Unstable, Metastable, or Stable Halogen Bonding Interaction Involving Negatively Charged Donors? A Statistical and Computational Chemistry Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2014, 卷号: 118, 期号: 49, 页码: 14223-14233
作者:  Yang, Zhuo;  Xu, Zhijian;  Liu, Yingtao;  Wang, Jinan;  Shi, Jiye
收藏  |  浏览/下载：12/0  |  提交时间：2019/01/08

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