《理论与计算化学杂志》(JTCC)是一份国际性的跨学科杂志，旨在全面报道理论和计算化学领域不断扩大的研究的最新进展和应用。JTCC定期发表关于新方法、软件、web服务器和数据库开发的文章和评论。对现有理论和计算方法的应用也表示欢迎，这些方法对重要问题产生了重大的新见解。鼓励发表联合计算和实验研究的论文。如果没有解决重大的科学问题，该杂志不会考虑用现有软件包直接计算分子性质的手稿。该杂志涵盖的领域包括分子动力学、计算机辅助分子设计、突变对大分子稳定性和动力学的建模影响、量子力学、统计力学等相关主题。
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The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal aimed at providing comprehensive coverage on the latest developments and applications of research in the ever-expanding field of theoretical and computational chemistry.JTCC publishes regular articles and reviews on new methodology, software, web server and database developments. The applications of existing theoretical and computational methods which produce significant new insights into important problems are also welcomed. Papers reporting joint computational and experimental investigations are encouraged. The journal will not consider manuscripts reporting straightforward calculations of the properties of molecules with existing software packages without addressing a significant scientific problem.Areas covered by the journal include molecular dynamics, computer-aided molecular design, modeling effects of mutation on stability and dynamics of macromolecules, quantum mechanics, statistical mechanics and other related topics.
