Journal Of Chemical Theory And Computation

Journal Title：Journal Of Chemical Theory And Computation

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Theory and Computation invites new and original contributions with the understanding that, if accepted, they will not be published elsewhere.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.

《化学理论与计算杂志》诚邀新奇原创的投稿，但前提是，一旦被接受，将不会在其他地方发表。报告量子电子结构、分子动力学和统计力学的新理论、方法和/或重要应用的论文适合提交给本杂志。具体主题包括从头算量子力学的进展或应用、密度泛函理论、新材料的设计和特性、表面科学、蒙特卡罗模拟、溶剂化模型、QM/MM 计算、生物分子结构预测和广义上的分子动力学（包括气相动力学、从头算动力学、生物分子动力学和蛋白质折叠）。本杂志不考虑直接应用已知方法（包括 DFT 和分子动力学）的论文。本杂志更倾向于包含理论或方法的进展并应用于紧迫问题的投稿。

Journal Of Chemical Theory And Computation创刊于2005年，由American Chemical Society出版商出版，收稿方向涵盖化学 - 物理：原子、分子和化学物理全领域，在行业领域中学术影响力很大，属于TOP期刊，国际一流期刊，关注度和专业度非常高，所以对原创文章要求创新性很高，过审难度很高，如果您有志于TOP期刊，建议关注此刊。平均审稿速度 约1.0个月 ，影响因子指数5.7，该期刊近期没有被列入国际期刊预警名单，广大学者值得一试。