Molecular Reactivity: Theoretical Study and Interpretation of Experimental Results—2nd Edition
This special issue belongs to the section "Computational and Theoretical Chemistry".
Special Issue Information
Dear Colleagues,
This Special Issue aims to collect papers investigating recent theoretical and experimental efforts exploiting new insights, methods, and techniques applied to the study of the microscopic dynamics of elementary chemical reactions. In particular, an overview of the most powerful calculation methods currently available will be published for the identification and characterization of the nature and strength of intermolecular interactions able to describe chemical reactivity. Topics include reactions between neutral species of interest in combustion, including ion–molecule reactions and those involving excited and radical species, from processes relevant for surface physics to the fundamentals of gas-phase stereodynamics, up to the physical chemistry of plasmas, planetary ionospheres, and astrochemistry, as well as complex systems of biochemical interest.
Prof. Dr. Marzio Rosi
Prof. Dr. Stefano Falcinelli
Guest Editors
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Keywords
- potential energy surface
- molecular reaction dynamics
- theoretical chemistry ab initio calculations
- combustion
- astrochemistry
- astrobiology
- atmospheric chemistry
- catalysis
- calculation of kinetic parameters
- modeling dust and icy grain structures and properties
- modeling processes at the grain surfaces
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Published Papers
Molecules - ISSN 1420-3049