缩写名/全名 |
COMPUT THEOR CHEM
Computational and Theoretical Chemistry |
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ISSN号 | 2210-271X | ||||||||||||||||||||||||
研究方向 | CHEMISTRY, PHYSICAL- | ||||||||||||||||||||||||
影响因子 | 2015:1.403, 2016:1.549, 2017:1.443, 2018:1.344, 2019:1.605, | ||||||||||||||||||||||||
出版国家 | NETHERLANDS | ||||||||||||||||||||||||
出版周期 | |||||||||||||||||||||||||
年文章数 | 196 | ||||||||||||||||||||||||
出版年份 | 2011 | ||||||||||||||||||||||||
是否OA | No | ||||||||||||||||||||||||
审稿周期(仅供参考) | 平均2月 |
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录用比例 | 约75% | ||||||||||||||||||||||||
投稿链接 | http://ees.elsevier.com/comptc/default.asp | ||||||||||||||||||||||||
投稿官网 | http://www.journals.elsevier.com/computational-and-theoretical-chemistry/ | ||||||||||||||||||||||||
h-index | 82 | ||||||||||||||||||||||||
CiteScore |
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PubMed Central (PMC)链接 | http://www.ncbi.nlm.nih.gov/nlmcatalog?term=2210-271X%5BISSN%5D | ||||||||||||||||||||||||
中科院SCI期刊分区 ( 2018年新版本) |
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中科院SCI期刊分区 ( 2020年新版本) |
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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 |
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