Affiliation:
1. MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary
Abstract
A full-dimensional spin–orbit-corrected analytical ab initio potential energy surface is developed and quasi-classical trajectory simulations are performed for the HBr + C2H5 reaction.
Funder
National Research, Development and Innovation Office
Emberi Eroforrások Minisztériuma
Magyar Tudományos Akadémia
Nemzeti Kutatási, Fejlesztési és Innovaciós Alap
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
15 articles.
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