Article ID Journal Published Year Pages File Type
5393805 Computational and Theoretical Chemistry 2014 8 Pages PDF
Abstract
Cooperativity effect involving O/CH⋯Cl− anionic H-bond and its influence on NICS (0, π) and NICS (1) as well as thermodynamic origin are explored.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A theoretical investigation into the cooperativity effect involving anionic hydrogen bond, thermodynamic property and aromaticity in Cl−⋯benzonitrile⋯H2O ternary complex
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