Journals Computational Chemistry


Covers the development of fundamental theoretical methodology and computational algorithms to extensive numerical applications to specific scientific problems ranging from gas-phase to condensed phase, and to biological systems.








    Top: Science: Chemistry: Computational: Journals

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Computational Chemistry Journals* - A list of journals known to publish articles about computational chemistry, even when the main focus of the journal is not computational chemistry.

  • 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 emphasis on what later became known as chemoinformatics.
  • Molecular Simulation - Covers all aspects of research related to, or of importance chemistry to, molecular modelling and simulation (including informatics, theoretical and experimental chemistry work).
  • Journal of Molecular Modeling - Publishes articles on life science modeling (including QSAR, data mining/bioinformatics, chemistry structure and substructure search), materials modeling, new methods, and computational chemistry chemistry in an interdisciplinary manner and within very short publication chemistry time
  • Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) - Publishes papers in all fields of theoretical chemistry, chemistry computational chemistry, and modeling.
  • Journal of Computer Aided Chemistry - Published by the Division of Chemical Information and computational Computer Science, The Chemical Society of Japan.
  • Journal of Molecular Graphics and Modelling - Publishes original research on the development and application journals of molecular modelling in the study of molecular journals structure, function, interactions and design, including computational chemistry, journals protein and polymer engineering, pharmaceutical design, struct
  • Journal of Theoretical and Computational Chemistry (JTCC) - Covers the development of fundamental theoretical methodology and computational computational algorithms computational to extensive numerical applications to specific computational scientific problems ranging from computational gas-phase to condensed phase, computational and to biological systems.
  • Journal of Computer-Aided Molecular Design - Publishes articles on the theory and the application of computer-based journals methods in the analysis and design of molecules. This includes journals theoretical chemistry, computational chemistry, computer and molecular graphics, molecular modeling, journals protein engineering,
  • 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 Molecular Structure: THEOCHEM - Publishes research related to the theory and modelling chemistry of molecular systems, including electronic structure, ab initio chemistry and semiempirical; graphical approaches to structure and properties; chemistry molecular modelling; reaction dynamics and scattering; spectroscopi
  • Journal of Computer Chemistry, Japan (JCCJ) - Published by the Society of Computer Chemistry, Japan.
  • Journal of Computational Chemistry - Publishes original articles on ab initio and semiempirical journals quantum mechanics, density functional theory, molecular mechanics, molecular journals dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular journals design, and bioinformati
  • Computational Biology and Chemistry - Publishes original papers and reviews in all areas journals of computational computational life sciences, such as nucleic acid journals and protein sequence research, computational molecular evolution, molecular genetics journals (functional genomics and proteomics), theory and computational practice of journals either biology-spec
  • Journal of Chemical Information and Modeling (JCIM) - Covers topics such as database search systems, use chemistry of graph journals theory in chemical problems, substructure search chemistry systems, pattern recognition and journals clustering, analysis of chemical chemistry and physical data, molecular modeling, graphics journals and natural chemistry language interfaces,


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