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Importance of dipolar resonance structures in determining ground state charge distribution
Journal article   Peer reviewed

Importance of dipolar resonance structures in determining ground state charge distribution

Alan R Katritzky and Marl Karelson
Tetrahedron letters, Vol.31(21), pp.2987-2990
1990
DOI: https://doi.org/10.1016/S0040-4039(00)89005-X

Abstract

AM1 SCRF calculations indicate the substantial importance of solvent-assisted polar resonance in acrolein and vinylamine. AM1 SCRF calculations indicate the substantial importance of solvent-assisted polar resonance in acrolein and vinylamine.

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