Article ID Journal Published Year Pages File Type
5382809 Chemical Physics Letters 2012 4 Pages PDF
Abstract
► A theoretical QTAIM study of tautomeric equilibria. ► Estimation of atomic energies in various environments. ► Huge energy changes of carbon atom for CX-C-X-H transformation (X = O, S). ► Different behavior of oxygen and sulfur in the CX group.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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