雜志介紹

Journal Of Computational Chemistry雜志介紹

《Journal Of Computational Chemistry》是一本以English為主的未開放獲取國際優秀期刊，中文名稱計算化學雜志，本刊主要出版、報道化學-CHEMISTRY, MULTIDISCIPLINARY領域的研究動態以及在該領域取得的各方面的經驗和科研成果，介紹該領域有關本專業的最新進展，探討行業發展的思路和方法，以促進學術信息交流，提高行業發展。該刊已被國際權威數據庫SCIE收錄，為該領域相關學科的發展起到了良好的推動作用，也得到了本專業人員的廣泛認可。該刊最新影響因子為3.4，最新CiteScore 指數為6.6。

本刊近期中國學者發表的論文主要有：

• Effect of ZrS2 load single/dual-atom catalysts on the hydrogen evolution reaction: A first-principles study

  Author: Dong, Shizhi; Li, Yanshuai; Hu, Hongyu; Li, Ruichuan; Yan, Bing; Zhang, Xing; Wang, Zeliang; Zhang, Jinyu; Guo, Lin

• Reactivities of silane coupling agents in the silica/rubber composites: Theoretical insights into the relationships between energy barriers and electronic characteristics

  Author: Ma, Delong; Ma, Song; Li, Yunfeng; Yuan, Jianyong; He, Jionghao; Zhao, Shuangliang

• A density fitting scheme for the fast evaluation of molecular electrostatic potential

  Author: Zhang, Yingfeng; Zhao, Jian

• A scheme for rapid evaluation of the intermolecular three-body polarization effect in water clusters

  Author: Li, Xiao-Lei; Li, Chao-Ming; Zhu, Jia-Yi; Zhou, Zhan; Hao, Qiang; Wang, Chang-Sheng

英文介紹

Journal Of Computational Chemistry雜志英文介紹

This distinguished journal publishes articles concerned with all aspects of computational chemistry: analytical, biological, inorganic, organic, physical, and materials. The Journal of Computational Chemistry presents original research, contemporary developments in theory and methodology, and state-of-the-art applications. Computational areas that are featured in the journal include ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics.