International Journal of Computational and Theoretical Chemistry (ISSN Online: 2376-7308, ISSN Print: 2376-7286) a peer-reviewed open access journal published bimonthly in English-language, provides a broad coverage of developments in theoretical and computational chemistry, as well as their applications to other scientific fields. Articles are broadly categorized into quantum chemistry, chemical dynamics, statistical mechanics, and chemical biology, ranging from fundamental theoretical methodology and computational algorithm to numerical applications. It also seeks to provide theories that explain chemical observations. Major components include the application of quantum mechanics to the understanding of valency, molecular dynamics, statistical thermodynamics and theories of electrolyte solutions, reaction networks, polymerization and catalysis.

The topics related to this journal include but are not limited to:

Guidelines for preparing your manuscript can be found in the Manuscript Preparation Guidelines. Once your manuscript is ready, you may proceed to the Submission page to complete the process.