The roles of steric and electronic effects in the 2-hydroxy-2′- nitrodiphenyl sulfones to 2-(o-nitrophenoxy)-benzene-sulfinic acids rearrangement (Smiles). Computational study

Journal of Molecular Structure: THEOCHEM

Volumn 679, Issue 1-2, 2004, Pages 45-52

  Musaev, Djamaladdin G ^a   Galloway, Ashley L ^a   Menger, Fredric M ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

Electronic effects; ONIOM(B3LYP:UFF); Steric effects

Indexed keywords

SULFINIC ACID DERIVATIVE; SULFONE DERIVATIVE;

ARTICLE; COMPLEX FORMATION; CORRELATION ANALYSIS; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ENERGY; PHASE TRANSITION; REACTION ANALYSIS; REDUCTION; STEREOCHEMISTRY; SUBSTITUTION REACTION; THERMODYNAMICS;

EID: 2542456593     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.04.001     Document Type: Article

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