Journal of Chemical Theory and Computation
期刊ISSN: 1549-9618
E-ISSN: 1549-9626
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自引率: 15.7%
SCI期刊JCR分区
SCI期刊JCR分区等级:1区
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PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
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CHEMISTRY, PHYSICAL
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最新中科院SCI期刊分区(基础版)
大类学科
化学
2区
小类学科
物理化学
3区
物理:原子、分子和化学物理
2区
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最新中科院SCI期刊分区(升级版)
大类学科
化学
1区
小类学科
物理:原子、分子和化学物理
1区
物理化学
2区
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期刊简介
The Journal of Chemical Theory and Computation invites new and original contributions with the understanding that, if accepted, they will not be published elsewhere. Papers reporting new theories, methodology, and/or important applications in quantum electronic structure, molecular dynamics, and statistical mechanics are appropriate for submission to this Journal. Specific topics include advances in or applications of 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. The Journal does not consider papers that are straightforward applications of known methods including DFT and molecular dynamics. The Journal favors submissions that include advances in theory or methodology with applications to compelling problems.
出版信息
出版商
American Chemical Society
涉及的研究方向
化学-物理:原子、分子和化学物理
刊期
Monthly
年文章数
648
出版国家或地区
UNITED STATES
是否OA
Cite Score相关
Cite Score SJR SNIP 排名
10 1.619 1.475
学科
大类学科:Computer Science
小类学科:Computer Science Applications
分区
Q1
学科
大类学科:Computer Science
小类学科:Physical and Theoretical Chemistry
分区
Q1
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