中国学者近期发表的论文
1.	Stereo-dynamics of the reaction C + SH(D,T)(v = 0, j = 0) → H(D,T) + CS based on a recent excited state potential energy surface Author: Da-Guang Yue, Lu-Lu Zhang, Juan Zhao, Yu-Zhi Song, Qing-Tian Meng Journal: Computational and Theoretical Chemistry, 2019, Vol., , DOI:10.1016/j.comptc.2019.03.028    DOI
2.	QM/MM nonadiabatic dynamics simulation on ultrafast excited-state relaxation in osmium(II) compounds in solution Author: Ye-Guang Fang, Ling-Ya Peng, Xiang-Yang Liu, Wei-Hai Fang, Ganglong Cui Journal: Computational and Theoretical Chemistry, 2019, Vol., , DOI:10.1016/j.comptc.2019.03.025    DOI
3.	DFT characterization on the effect of redox-inactive cation Ca2+ on water oxidation by CoII-based cuboidal catalyst Author: Xiao-Fang Su, Bo Zhu, Li Liu, Li-Kai Yan, Zhong-Min Su Journal: Computational and Theoretical Chemistry, 2019, Vol.1152, 1-6, DOI:10.1016/j.comptc.2019.01.023    DOI
4.	First-principles studies on the doping effect of Nin−1TM (n = 13, 19, 55) Author: Wei Song, Tao Kuang, Zhe Fu, Jin-long Wang, Wei Zhang, Peng-fei Ma Journal: Computational and Theoretical Chemistry, 2019, Vol.1152, 32-40, DOI:10.1016/j.comptc.2019.01.024    DOI
5.	Computational study on the removal of photolabile protecting groups by photochemical reactions Author: Chou-Hsun Yang, Johanna Denne, Scott Reed, Haobin Wang Journal: Computational and Theoretical Chemistry, 2019, Vol.1151, 1-11, DOI:10.1016/j.comptc.2019.01.016    DOI
6.	Structural patterns in carbon chemisorption on ultrasmall iron clusters: A first-principles study Author: Zongying Wang, Huiting Bian, Jing Li, Wei Zhong, Tianshui Liang, Jun Zhao Journal: Computational and Theoretical Chemistry, 2019, Vol., , DOI:10.1016/j.comptc.2019.01.018    DOI
7.	Molecular design of organoplatinum(II) complexes through a DFT/TDDFT study: Photophysical properties and intermolecular interactions Author: Hongyan Ning, Xiuxue Huang, Li Yang, Jiaxu Zhang Journal: Computational and Theoretical Chemistry, 2019, Vol.1150, 91-101, DOI:10.1016/j.comptc.2019.01.019    DOI
8.	Structures, Metallophilic Interactions and Electronic Excitation Energy of Linear Metal Chain Complexes PdmPtn[PH2(CH2PH)m+n-2CH2PH2]3, A Theoretical Investigation Author: Mingrui Shen, Congjie Zhang Journal: Computational and Theoretical Chemistry, 2019, Vol., , DOI:10.1016/j.comptc.2019.01.012    DOI
9.	First-principles investigation of native point defects in two-dimensional Ti3C2 Author: Ruijiao He, Yun Wan, Puju Zhao, Ping Guo, Zhenyi Jiang, Jiming Zheng Journal: Computational and Theoretical Chemistry, 2019, Vol.1150, 26-39, DOI:10.1016/j.comptc.2019.01.006    DOI
10.	Theoretical study on adsorption characteristics and environmental effects of dimetridazole on TiO2 surface Author: Hai-Chuan Qin, Qiao-Qiao Qin, Hui Luo, Wei Wei, Liu-Xie Liu, Lai-Cai Li Journal: Computational and Theoretical Chemistry, 2019, Vol.1150, 10-17, DOI:10.1016/j.comptc.2019.01.002    DOI

同类著名期刊名称 h-index CiteScore CHEMICAL REVIEWS 609 100.50 CHEMICAL SOCIETY REVIEWS 432 67.10 Nature Reviews Chemistry 8 36.40 PROGRESS IN POLYMER SCIENCE 244 41.10 Nature Chemistry 187 38.20 ACCOUNTS OF CHEMICAL RESEARCH 354 33.80 Chem 34 23.20 Wiley Interdisciplinary Reviews-Computational Molecular Science 62 21.70 APPLIED CATALYSIS B-ENVIRONMENTAL 205 25.30 COORDINATION CHEMISTRY REVIEWS 254 26.00

中科院JCR同大类学科的热搜期刊 浏览次数 RSC Advances 1384267 CHEMICAL COMMUNICATIONS 635521 Journal of Physical Chemistry C 576956 ACS Sustainable Chemistry & Engineering 527216 MOLECULES 526011 JOURNAL OF COLLOID AND INTERFACE SCIENCE 515698 APPLIED CATALYSIS B-ENVIRONMENTAL 497751 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 460075 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 409693 PHYSICAL CHEMISTRY CHEMICAL PHYSICS 385930