Journal of Chemical Theory and Computation

期刊名
Journal of Chemical Theory and Computation

J. Chem. Theory Comput.

ISSN / eISSN
1549-9618 / 1549-9626
目标和范围
The Journal of Chemical Theory and Computation publishes papers reporting new theories, methodology in quantum electronic structure, molecular dynamics, and statistical mechanics and/or their important applications. Specific topics include advances in ab initio quantum mechanics, density functional theory, design and properties of new materials, surface science, Monte Carlo simulations, solvation models, QM/MM calculations, biomolecular structure prediction, and molecular dynamics in the broadest sense, including gas-phase dynamics, ab initio dynamics, biomolecular dynamics, and protein folding/phase separation. New theories for quantum computers and their applications are welcome, as well as the combination of data science, theory, and computations relevant to chemistry. We also welcome papers on computational chemistry packages that present innovative methods. The Journal does not consider papers that are straightforward applications on only single-class systems of well-established methods, including DFT, traditional wave function theories, and molecular dynamics. The Journal favors submissions that include advances in theory, methodology, and data science with applications to compelling problems in chemistry and materials science.
研究方向

物理:原子、分子和化学物理

物理化学

CiteScore
10.90 查看趋势图
CiteScore 学科排名
类别 分区 排名
Computer Science - Computer Science Applications Q1 #58/792
Computer Science - Physical and Theoretical Chemistry Q1 #19/185
Web of Science 核心合集
Science Citation Index Expanded (SCIE) Social Sciences Citation Index (SSCI)
Indexed -
类别 (Journal Citation Reports 2023) 分区
CHEMISTRY, PHYSICAL - SCIE Q2
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL - SCIE Q1
H-index
146
出版国家或地区
UNITED STATES
出版商
American Chemical Society
出版周期
Monthly
出版年份
2005
年文章数
613
Open Access
NO
通讯方式
AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036
认证评论
注: 认证评论选取于全球各个学术评论平台和社交媒体。
Why are there so few comments in the comment section? The article was submitted at the end of February last year and received review comments in early April. The reviewers were very fair, and we agreed with their suggestions. Afterward, we re-ran some of the data and made revisions in September. It was quickly accepted. This journal can be considered of high quality in terms of reviewer standards.
2022-04-14

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