期刊簡介預計審稿時間： 約1.0個月

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Theory and Computation invites new and original contributions with the understanding that, if accepted, they will not be published elsewhere.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(chuàng)的投稿，但前提是，一旦被接受，將不會在其他地方發(fā)表。報告量子電子結(jié)構(gòu)、分子動力學和統(tǒng)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(jié)構(gòu)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(zhì)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》(化學理論與計算雜志)編輯部通訊方式為AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036。如果您需要協(xié)助投稿或潤稿服務，您可以咨詢我們的客服老師。我們專注于期刊咨詢服務十年，熟悉發(fā)表政策，可為您提供一對一投稿指導，避免您在投稿時頻繁碰壁，節(jié)省您的寶貴時間，有效提升發(fā)表機率，確保SCI檢索（檢索不了全額退款）。我們視信譽為生命，多方面確保文章安全保密，在任何情況下都不會泄露您的個人信息或稿件內(nèi)容。