Science: Chemistry: Computational: Journals: Page 2

Publishes research related to the theory and modelling of molecular systems, including electronic structure, ab initio and semiempirical; graphical approaches to structure and properties; molecular modelling; reaction dynamics and scattering; spectroscopic and experimental studies that test and evaluate theories and models; statistical mechanics; and unique computational techniques.

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.

Covers all aspects of research related to, or of importance to, molecular modelling and simulation (including informatics, theoretical and experimental work).

Publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling.