中文简介

计算和理论化学出版高质量的，原始的报告，在计算和理论化学的重要意义，包括那些处理的问题，结构，性质，能量学，弱相互作用，反应机制，催化，反应速率涉及原子，分子，团簇，表面和体积物质。特别欢迎关于新算法的报告和对现有算法的全面评估，以及对新类型问题的应用。将标准方法应用于特定的化学问题和/或特定分子的手稿，如果它们报告了对一个重要问题的高兴趣的新结果和/或如果它们被用来发展重要的新见解，是合适的。作者的好处我们也提供许多作者的利益，如免费的pdf，自由的版权政策，特别折扣的爱思唯尔出版物和更多。请按此浏览更多有关作者服务的资料。有关文章提交的信息，请参阅我们的作者指南。如果您需要进一步的信息或帮助，请访问我们的支持中心

投稿网址：http://ees.elsevier.com/comptc/default.asp

英文简介

Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter. Reports on new algorithms and comprehensive assessments of existing ones, and applications to new types of problems are especially welcome. Manuscripts that apply standard methods to specific chemical problems and/or to specific molecules are appropriate if they report novel results for an important problem of high interest and/or if they are used to develop significant new insights.Benefits to authorsWe also provide many author benefits, such as free PDFs, a liberal copyright policy, special discounts on Elsevier publications and much more. Please click here for more information on our author services.Please see our Guide for Authors for information on article submission. If you require any further information or help, please visit our Support Center