New Methodology to Produce Sets of Valence Bond Structures with Enhanced Chemical Insights.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c01000
Abstract: The valence bond (VB) theory uses localized orbitals, and its wave function is composed of a linear combination of various VB structures which are based on sets of spin functions. The VB structures are not… read more here.
Keywords: rumer sets; rumer rules; methodology; valence bond ... See more keywords