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Theory and Computation invites new and original contributions with the understanding that, if accepted, they will not be published elsewhere.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

《化學理論與計算雜志》誠邀新奇原創的投稿，但前提是，一旦被接受，將不會在其他地方發表。報告量子電子結構、分子動力學和統計力學的新理論、方法和/或重要應用的論文適合提交給本雜志。具體主題包括從頭算量子力學的進展或應用、密度泛函理論、新材料的設計和特性、表面科學、蒙特卡羅模擬、溶劑化模型、QM/MM 計算、生物分子結構預測和廣義上的分子動力學（包括氣相動力學、從頭算動力學、生物分子動力學和蛋白質折疊）。本雜志不考慮直接應用已知方法（包括 DFT 和分子動力學）的論文。本雜志更傾向于包含理論或方法的進展并應用于緊迫問題的投稿。

Journal Of Chemical Theory And Computation創刊于2005年，由American Chemical Society出版商出版，收稿方向涵蓋化學 - 物理：原子、分子和化學物理全領域，在行業領域中學術影響力很大，屬于TOP期刊，國際一流期刊，關注度和專業度非常高，所以對原創文章要求創新性很高，過審難度很高，如果您有志于TOP期刊，建議關注此刊。平均審稿速度 約1.0個月 ，影響因子指數5.7，該期刊近期沒有被列入國際期刊預警名單，廣大學者值得一試。