Journals
Computational Biology and Chemistry
Publishes original papers and reviews in all areas of computational life sciences, such as nucleic acid and protein sequence research, molecular evolution, molecular genetics (func…
Computational Chemistry Journals
A comprehensive list of journals known to publish articles about computational chemistry, even when the main focus of the journal is not computational chemistry.
Journal of Chemical Information and Modeling (JCIM)
Covers topics such as database search systems, use of graph theory in chemical problems, substructure search systems, pattern recognition and clustering, analysis of chemical and p…
Journal of Chemical Theory and Computation (JCTC)
Publishes papers reporting new theories, methodology, and/or important applications in quantum chemistry, molecular dynamics, and statistical mechanics.
Journal of Computational Chemistry
Publishes original articles on ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminforma…
Journal of Computer Aided Chemistry
Published by the Division of Chemical Information and Computer Science, The Chemical Society of Japan.
Journal of Computer Chemistry, Japan (JCCJ)
Published by the Society of Computer Chemistry, Japan.
Journal of Computer-Aided Molecular Design
Publishes articles on the theory and the application of computer-based methods in the analysis and design of molecules. This includes theoretical chemistry, computational chemistry…
Journal of Molecular Graphics and Modelling
Publishes original research on the development and application of molecular modelling in the study of molecular structure, function, interactions and design, including computationa…
Journal of Molecular Modeling
Publishes articles on life science modeling (including QSAR, data mining/bioinformatics, structure and substructure search), materials modeling, new methods, and computational chem…
Journal of Molecular Structure: THEOCHEM
Publishes research related to the theory and modelling of molecular systems, including electronic structure, ab initio and semiempirical; graphical approaches to structure and prop…
Journal of Theoretical and Computational Chemistry (JTCC)
Covers the development of fundamental theoretical methodology and computational algorithms to extensive numerical applications to specific scientific problems ranging from gas-phas…
Molecular Simulation
Covers all aspects of research related to, or of importance to, molecular modelling and simulation (including informatics, theoretical and experimental work).
Tetrahedron Computer Methodology
Journal that ran from 1988 to 1990 and was a pioneer in electronic publishing in chemistry. It published articles about the application of computers to chemistry, with some emphasi…
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
Publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling.
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