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1549-9618 (print) 1549-9626 (web) LCCN: ... Computational and Theoretical Chemistry; Journal of Computational Chemistry;
Computational and Theoretical Chemistry is a peer-reviewed scientific journal published by Elsevier. It was established in 1985 as Journal of Molecular Structure: THEOCHEM, a spin-off of the Journal of Molecular Structure. It obtained its current name in 2011 and covers molecular structure in theoretical chemistry.
Kenichi Fukui (1918–1998), Japanese theoretical chemist, 1981 Nobel Prize in Chemistry winner for theories of chemical reactivity Richard A. Friesner (1952–), developer of Jaguar Laura Gagliardi (1968–), known for her work on the development of electronic structure methods and their use for understanding complex chemical systems
The World Association of Theoretical and Computational Chemists (WATOC) is a scholarly association founded in 1982 "in order to encourage the development and application of theoretical methods" in chemistry, particularly theoretical chemistry and computational chemistry. [1]
Computational chemistry can help predict values like activation energy from catalysis. The presence of the catalyst opens a different reaction pathway (shown in red) with lower activation energy. The final result and the overall thermodynamics are the same. Computational chemistry is a tool for analyzing catalytic systems without doing experiments.
The Journal of Computational Biophysics and Chemistry is a peer-reviewed scientific journal covering developments in theoretical and computational chemistry and biophysics, as well as their applications to other scientific fields, such as medicine, pharmaceutical and materials sciences.
Computational Biology and Chemistry; Computers in Biology and Medicine; Current Bioinformatics; Database; EMBnet.journal; Evolutionary Bioinformatics; GigaScience; IEEE/ACM Transactions on Computational Biology and Bioinformatics; Journal of the American Medical Informatics Association; Journal of Bioinformatics and Computational Biology
Centre for Theoretical and Computational Chemistry; CHELPG; Chemical computer; Chemical graph theory; Combining rules; Computational chemical methods in solid-state physics; Computational chemistry; Coulomb operator; Coulson–Fischer theory; Crystal structure prediction; Cubane