中国学者近期发表的论文
1.	An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H2 + HS → H2 S + H reaction. Author: Xu X1, Chen J2, Liu S1, Zhang DH1. Journal: J Comput Chem. 2019 Apr 15;40(10):1151-1160. doi: 10.1002/jcc.25746. Epub 2018 Dec 28.    PubMed      DOI
2.	eSHAFTS: Integrated and graphical drug design software based on 3D molecular similarity. Author: He G1,2, Song Y1, Wei W1, Wang X3, Lu X1, Li H3. Journal: J Comput Chem. 2019 Mar 5;40(6):826-838. doi: 10.1002/jcc.25769.    PubMed      DOI
3.	Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed-Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems. Author: Sheong F1, Zhang JX1, Lin Z1. Journal: J Comput Chem. 2019 Apr 15;40(10):1172-1184. doi: 10.1002/jcc.25762. Epub 2019 Jan 16.    PubMed      DOI
4.	Predicting the halogen-n (n = 3-6) synthons to form the "windmill" pattern bonding based on the halogen-bonded interactions. Author: Liu M1, Zeng Y1,2, Sun Z1, Meng L1. Journal: J Comput Chem. 2019 Apr 30;40(11):1219-1226. doi: 10.1002/jcc.25781. Epub 2019 Jan 24.    PubMed      DOI
5.	CHARMM-GUI Nanodisc Builder for modeling and simulation of various nanodisc systems. Author: Qi Y1, Lee J2, Klauda JB3, Im W2. Journal: J Comput Chem. 2019 Mar 15;40(7):893-899. doi: 10.1002/jcc.25773.    PubMed      DOI
6.	Catalytic performance of bis(imino)pyridine Fe/Co complexes toward ethylene polymerization by 2D-/3D-QSPR modeling. Author: Yang W1,2, Ma Z1,3, Yi J1,3, Ahmed S1,2, Sun WH1,2. Journal: J Comput Chem. 2019 May 15;40(13):1374-1386. doi: 10.1002/jcc.25792. Epub 2019 Jan 29.    PubMed      DOI
7.	An unconventional ligand-binding mechanism of substrate-binding proteins: MD simulation and Markov state model analysis of BtuF. Author: Wang D1, Weng J1, Wang W1. Journal: J Comput Chem. 2019 May 30;40(14):1440-1448. doi: 10.1002/jcc.25798. Epub 2019 Feb 12.    PubMed      DOI
8.	BAR-based optimum adaptive steered MD for configurational sampling. Author: Wang X1,2, Tu X3, Deng B4, Zhang JZH1,5,6, Sun Z1,7. Journal: J Comput Chem. 2019 May 5;40(12):1270-1289. doi: 10.1002/jcc.25784. Epub 2019 Feb 14.    PubMed      DOI
9.	Fluxional bonds in quasi-planar $B_{18}^{2-}$ and half-sandwich ${\mathrm{MB}}_{18}^{-}$ (M = K, Rb, and Cs). Author: Yan M1, Li HR1, Tian XX1, Mu YW1, Lu HG1, Li SD1. Journal: J Comput Chem. 2019 Apr 30;40(11):1227-1232. doi: 10.1002/jcc.25782. Epub 2019 Feb 18.    PubMed      DOI
10.	Investigation of two-dimensional hf-based MXenes as the anode materials for li/na-ion batteries: A DFT study. Author: Yang Z1, Zheng Y2, Li W1, Zhang J1. Journal: J Comput Chem. 2019 May 15;40(13):1352-1359. doi: 10.1002/jcc.25789. Epub 2019 Feb 18.    PubMed      DOI

同类著名期刊名称 h-index CiteScore CHEMICAL REVIEWS 609 54.26 CHEMICAL SOCIETY REVIEWS 432 41.35 Nature Chemistry 187 15.12 ACCOUNTS OF CHEMICAL RESEARCH 354 20.10 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 542 14.75 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 482 11.68 GREEN CHEMISTRY 186 9.43 ChemSusChem 130 7.24 JOURNAL OF CONTROLLED RELEASE 237 7.82 LAB ON A CHIP 181 6.31

中科院JCR同大类学科的热搜期刊 浏览次数 RSC Advances 1372696 CHEMICAL COMMUNICATIONS 625680 Journal of Physical Chemistry C 570293 MOLECULES 520775 ACS Sustainable Chemistry & Engineering 517748 JOURNAL OF COLLOID AND INTERFACE SCIENCE 507700 APPLIED CATALYSIS B-ENVIRONMENTAL 490786 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 453375 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 405158 PHYSICAL CHEMISTRY CHEMICAL PHYSICS 381392