計(jì)算和理論化學(xué)出版高質(zhì)量的，原始的報(bào)告，在計(jì)算和理論化學(xué)的重要意義，包括那些處理的問(wèn)題，結(jié)構(gòu)，性質(zhì)，能量學(xué)，弱相互作用，反應(yīng)機(jī)制，催化，反應(yīng)速率涉及原子，分子，團(tuán)簇，表面和體積物質(zhì)。特別歡迎關(guān)于新算法的報(bào)告和對(duì)現(xiàn)有算法的全面評(píng)估，以及對(duì)新類(lèi)型問(wèn)題的應(yīng)用。將標(biāo)準(zhǔn)方法應(yīng)用于特定的化學(xué)問(wèn)題和/或特定分子的手稿，如果它們報(bào)告了對(duì)一個(gè)重要問(wèn)題的高興趣的新結(jié)果和/或如果它們被用來(lái)發(fā)展重要的新見(jiàn)解，是合適的。作者的好處我們也提供許多作者的利益，如免費(fèi)的pdf，自由的版權(quán)政策，特別折扣的愛(ài)思唯爾出版物和更多。請(qǐng)按此瀏覽更多有關(guān)作者服務(wù)的資料。有關(guān)文章提交的信息，請(qǐng)參閱我們的作者指南。如果您需要進(jìn)一步的信息或幫助，請(qǐng)?jiān)L問(wèn)我們的支持中心

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