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