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A generalized valence bond model for the quantum mechanics of bonding in sulfur compounds, a new view of hypervalency

Authors :
Murphy, Robert B.
Messmer, Richard P.
Publication Year :
2024

Abstract

A model for the bonding of hypervalent molecules containing sulfur is presented using generalized valence bond wavefunctions. To delineate the model from more commonly used DFT and delocalized wavefunctions, we present detailed comparisons to these other methods. The result is a new concept of local transferable bonding in hypervalent molecules.

Subjects

Subjects :
Physics - Chemical Physics

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.2410.23593
Document Type :
Working Paper