Journal Of Computational Chemistry

SCI SCIE

国际简称：J COMPUT CHEM 参考译名：计算化学杂志

主要研究方向：化学-化学综合非预警期刊审稿周期：约1.5个月

《计算化学杂志》(Journal Of Computational Chemistry)是一本由John Wiley and Sons Inc.出版的以化学-化学综合为研究特色的国际期刊，发表该领域相关的原创研究文章、评论文章和综述文章，及时报道该领域相关理论、实践和应用学科的最新发现，旨在促进该学科领域科学信息的快速交流。该期刊是一本未开放期刊，近三年没有被列入预警名单。

3区中科院分区
Q3 JCR分区
271 年发文量
2.9 IF影响因子
未开放 是否OA
168 H-index
1980 创刊年份
Semimonthly 出版周期
English 出版语言

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.

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Journal Of Computational Chemistry期刊信息

ISSN：0192-8651
出版语言：English
是否OA：未开放
E-ISSN：1096-987X
出版地区：UNITED STATES
是否预警：否
出版商：John Wiley and Sons Inc.
出版周期：Semimonthly
创刊时间：1980
开源占比：0.1393
Gold OA文章占比：36.59%
OA被引用占比：
出版国人文章占比：0
出版撤稿占比：
研究类文章占比：97.42%

Journal Of Computational Chemistry CiteScore评价数据（2026年6月最新版）

CiteScore

SJR

SNIP

CiteScore 指数

7.3

1.057

1.344

学科类别	分区	排名	百分位
大类：Mathematics 小类：Computational Mathematics	Q1	17 / 212	92%
大类：Mathematics 小类：General Chemistry	Q1	95 / 402	76%

名词解释：CiteScore 是衡量期刊所发表文献的平均受引用次数，是在 Scopus 中衡量期刊影响力的另一个指标。当年CiteScore 的计算依据是期刊最近4年（含计算年度）的被引次数除以该期刊近四年发表的文献数。例如，2022年的 CiteScore 计算方法为：2022年的 CiteScore =2019-2022年收到的对2019-2022年发表的文件的引用数量÷2019-2022年发布的文献数量注：文献类型包括：文章、评论、会议论文、书籍章节和数据论文。

Journal Of Computational Chemistry中科院评价数据

《新锐期刊分区表》（2026年3月发布）

Top期刊	综述期刊	大类学科		小类学科
否	否	化学	3区	CHEMISTRY, MULTIDISCIPLINARY 化学：综合	3区

Journal Of Computational Chemistry JCR评价数据

2025-2026年最新版

按JCI指标学科分区	收录子集	分区	排名	百分位
学科：CHEMISTRY, MULTIDISCIPLINARY	SCIE	Q3	127 / 250	49.4
学科：CHEMISTRY, MULTIDISCIPLINARY	SCIE	Q2	88 / 251	65.14

Journal Of Computational Chemistry历年数据统计

影响因子

中科院分区

Journal Of Computational Chemistry中国学者发文选摘

1、A Theoretical Investigation of Substituent Effects on the Electronic Spectra of Antimony(III) Corrolate
Author: Li, Feng; Lv, Yun-Rui; Huang, Mian-Ying; Yu, Qing-Hua; Yao, Yan-Fang; Qiu, Yi-Feng; Liu, Hai-Yang

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 9, pp. -. DOI: 10.1002/jcc.70367
2、Thermal Decomposition Simulations of Hydroxylamine Pentazolate With Deep Neural Network Potentia
Author: Sheng, Guozhen; Wang, Caimu; Zhang, Jiao; Guo, Wei; Liu, Ruibin

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 8, pp. -. DOI: 10.1002/jcc.70362
3、Simulon: An AI-Assisted, PyTorch-Native Framework of Molecular Dynamics and Modelin
Author: Jin, Zongxiao; Sun, Xiaobo; Xi, Xiaoli; Nie, Zuoren

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 8, pp. -. DOI: 10.1002/jcc.70364
4、Performance of Relativistic Effective Core Potentials for Closed-Shell Superheavy Element Halides in DFT and TDDFT Calculation
Author: Yang, Tingting; Li, Xuan; Guo, Minggang

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 5, pp. -. DOI: 10.1002/jcc.70320
5、New Optimized Parameters of Extended Tight-Binding Method Ln-xTB (Ln = La-Lu) to Explore Lanthanide Molecular Chemistr
Author: Zhang, Yang- Yang

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 4, pp. -. DOI: 10.1002/jcc.70321
6、REG-CCSD(T): A New Efficient CCSD(T) Approach Accelerated by the Regularized Fock and Intermediate Excitation Matri
Author: Zhang, Yang-yang

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 3, pp. -. DOI: 10.1002/jcc.70295
7、GMSAC: A New Software for Searching the Global-Minimum Structures of Solids and Alloys by the Improved Genetic Algorithm and Embedded Atom Metho
Author: Zhang, Yang- Yang

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 2, pp. -. DOI: 10.1002/jcc.70315
8、Direct and Superexchange Couplings for Electron Transfer in Donor-Bridge-Acceptor System
Author: Zheng, Hangjing; Feng, Xinyuan; Wu, Wei; Chen, Zhenhua

Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY. 2026; Vol. 47, Issue 1, pp. -. DOI: 10.1002/jcc.70305