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Journal of Molecular Structure (Theochem)
J Mol Struct

Published/Hosted by Elsevier. ISSN: 0166-1280.

Theochem publishes research related to the theory and modelling of molecular systems. This includes, but is not limited to, 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 unique computational techniques.High quality, original reports of significance in theory and modelling are invited. Reports on new theoretical methods and/or their applications are especially welcome. The molecular problems within the scope of the journal range from structural aspects of small, isolated molecules to inorganic complexes, organic reactions, polymers and biopolymers, protein structure, molecular aggregations, nonlinear phenomena, surface chemistry, spectroscopic properties, and materials and drug design.As a special feature Theochem offers electronic services such as a Table of Contents service and the possibility to publish supplementary material on the WWW. Please contact the editors for more information.

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