Computational and Theoretical Chemistry - Elsevier
https://www.elsevier.com/journals/personal/computational-and...Computational and Theoretical Chemistry publishes high quality, original reports of significance in computational and theoretical chemistry including those that deal with problems of structure, properties, energetics, weak interactions, reaction mechanisms, catalysis, and reaction rates involving atoms, molecules, clusters, surfaces, and bulk matter.
Journal of Chemical Theory and Computation
https://pubs.acs.org/journal/jctcceTheoretical models (15) Machine learning (14) Theoretical calculations (4) Cross-disciplinary concepts. Physical and chemical properties. Thermodynamic properties (1131) Conformation (459) Electrical properties (213) Polarization (153) Polarizability (120) Polarity (98) Magnetic properties (86) Stability (64) Hydrophobicity (58) Energy levels (55)
Journal of Theoretical Chemistry | Hindawi
https://www.hindawi.com/journals/jtcJournal of Theoretical Chemistry has ceased publication and is no longer accepting submissions. All previously published articles are available through the Table of Contents. The journal is archived in Portico and via the LOCKSS initiative, which provides permanent archiving for electronic scholarly journals. Go to Table of Contents.