中国学者近期发表的论文
1.	Automatic Construction of the Initial Orbitals for Efficient Generalized Valence Bond Calculations of Large Systems. Author: Wang Q1, Zou J1, Xu E2, Pulay P3, Li S1. Journal: J Chem Theory Comput. 2019 Jan 8;15(1):141-153. doi: 10.1021/acs.jctc.8b00854. Epub 2018 Dec 11.    PubMed      DOI
2.	Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra. Author: Guo M1,2, Källman E2, Pinjari RV3, Couto RC2, Kragh Sørensen L2, Lindh R2, Pierloot K4, Lundberg M2,5. Journal: J Chem Theory Comput. 2019 Jan 8;15(1):477-489. doi: 10.1021/acs.jctc.8b00658. Epub 2018 Dec 12.    PubMed      DOI
3.	CHARMM-GUI Membrane Builder for Complex Biological Membrane Simulations with Glycolipids and Lipoglycans. Author: Lee J1, Patel DS1, Ståhle J2, Park SJ1, Kern NR1, Kim S1, Lee J1, Cheng X3, Valvano MA4, Holst O5, Knirel YA6, Qi Y7, Jo S8, Klauda JB9, Widmalm G2, Im W1. Journal: J Chem Theory Comput. 2019 Jan 8;15(1):775-786. doi: 10.1021/acs.jctc.8b01066. Epub 2018 Dec 28.    PubMed      DOI
4.	Toward Building Protein Force Fields by Residue-Based Systematic Molecular Fragmentation and Neural Network. Author: Wang H1, Yang W2,3. Journal: J Chem Theory Comput. 2019 Feb 12;15(2):1409-1417. doi: 10.1021/acs.jctc.8b00895. Epub 2019 Jan 7.    PubMed      DOI
5.	Theoretical Insights on Nonlinear Response Theory of Fluorescence Spectroscopy in Liquids. Author: Li T1, Wang X1. Journal: J Chem Theory Comput. 2019 Jan 8;15(1):471-476. doi: 10.1021/acs.jctc.8b00538. Epub 2018 Dec 31.    PubMed      DOI
6.	Understanding Carrier Transport in Organic Semiconductors: Computation of Charge Mobility Considering Quantum Nuclear Tunneling and Delocalization Effects. Author: Jiang Y1, Geng H2, Li W3, Shuai Z3. Journal: J Chem Theory Comput. 2019 Mar 12;15(3):1477-1491. doi: 10.1021/acs.jctc.8b00779. Epub 2019 Feb 11.    PubMed      DOI
7.	Developments and Applications of Coil-Library-Based Residue-Specific Force Fields for Molecular Dynamics Simulations of Peptides and Proteins. Author: Jiang F1, Wu HN1, Kang W1,2, Wu YD1,2. Journal: J Chem Theory Comput. 2019 May 14;15(5):2761-2773. doi: 10.1021/acs.jctc.8b00794. Epub 2019 Apr 8.    PubMed      DOI
8.	A Fragment Quantum Mechanical Method for Metalloproteins. Author: Xu M1, He X1,2, Zhu T1,2, Zhang JZH1,2,3. Journal: J Chem Theory Comput. 2019 Feb 12;15(2):1430-1439. doi: 10.1021/acs.jctc.8b00966. Epub 2019 Jan 24.    PubMed      DOI
9.	Free Energy Calculation of Transmembrane Ion Permeation: Sample with a Single Reaction Coordinate and Analysis along Transition Path. Author: Guan X1, Wei D1, Hu D2. Journal: J Chem Theory Comput. 2019 Feb 12;15(2):1216-1225. doi: 10.1021/acs.jctc.8b01096. Epub 2019 Jan 31.    PubMed      DOI
10.	Addressing Polarization Phenomena in Molecular Machines Containing Transition Metal Ions with an Additive Force Field. Author: Du S1, Fu H1, Shao X1,2,3,4, Chipot C5,6,7, Cai W1,2,4. Journal: J Chem Theory Comput. 2019 Mar 12;15(3):1841-1847. doi: 10.1021/acs.jctc.8b00972. Epub 2019 Feb 7.    PubMed      DOI

同类著名期刊名称 h-index CiteScore JOURNAL OF MOLECULAR LIQUIDS 82 4.68 PHYSICAL CHEMISTRY CHEMICAL PHYSICS 199 3.69 CHEMPHYSCHEM 123 2.81 JOURNAL OF CHEMICAL PHYSICS 314 2.85 JOURNAL OF PHYSICAL CHEMISTRY A 212 2.78 CHEMICAL PHYSICS LETTERS 219 1.80 CHEMICAL PHYSICS 110 1.67 MOLECULAR PHYSICS 99 1.70 MOLECULAR SIMULATION 50 1.57 EUROPEAN PHYSICAL JOURNAL D 78 1.29

中科院JCR同大类学科的热搜期刊 浏览次数 RSC Advances 1372608 CHEMICAL COMMUNICATIONS 625615 Journal of Physical Chemistry C 570234 MOLECULES 520746 ACS Sustainable Chemistry & Engineering 517686 JOURNAL OF COLLOID AND INTERFACE SCIENCE 507614 APPLIED CATALYSIS B-ENVIRONMENTAL 490739 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 453317 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 405128 PHYSICAL CHEMISTRY CHEMICAL PHYSICS 381355