Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol

Published 2015 View Full Article

Authors

Keywords

Natural population analysis (NPA), Fukui function analysis, Natural bond orbital analysis (NBO), Mulliken electronegativity

Journal

JOURNAL OF MOLECULAR STRUCTURE

Volume 1091, Issue -, Pages 183-195

Publisher

Elsevier BV

Online

2015-03-05

DOI

10.1016/j.molstruc.2015.02.076

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