International Journal of Computational and Theoretical Chemistry

Aims and Scope

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:

  • Bioinformatics
  • Cheminformatics
  • Density functional theory
  • Molecular dynamics
  • Molecular modeling
  • Polymerization and catalysis
  • Reaction networks
  • Statistical mechanics
  • Quantum mechanics application
  • Theoretical inorganic chemistry
  • Theoretical thermochemistry
  • Biomolecular structure prediction
  • Computational chemistry
  • Molecular design
  • Molecular mechanics
  • Molecular simulation
  • Quantum chemistry
  • Semiempirical quantum mechanics
  • Statistical thermodynamics
  • Theoretical chemistry
  • Theoretical organic chemistry
  • Electrolyte solutions theories

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.