Charge and energy redistribution in sulfonamides undergoing conformational changes. Hybridization as a controlling influence over conformer stability

Canadian Journal of Chemistry

Volumn 74, Issue 6, 1996, Pages 1271-1282

  Breneman, Curt M ^a   Weber, Lawrence W ^a  

^a Research Rensselaer Polytechnic Institute   (United States)

Author keywords

atoms in molecules calculations; electron density analysis; hybridization; rotational barrier; sulfonamide

Indexed keywords

ATOMS; CARRIER CONCENTRATION; CHEMICAL BONDS; COMPUTER SIMULATION; CONFORMATIONS; ELECTRONS; ELECTROSTATICS; KINETIC THEORY; MOLECULES; NITROGEN; OXYGEN; SULFUR COMPOUNDS;

ATOMS IN MOLECULES THEORY; CONFORMER STABILITY; COVALENT BONDING; ELECTRONIC KINETIC ENERGY; FLUOROSULFONAMIDE; INTERNAL ROTATION BARRIERS; LAPLACIAN MINIMA; NITROGEN PYRAMIDALIZATION REGION; NITROGEN REHYBRIDIZATION EFFECTS; SULFONAMIDES;

MOLECULAR DYNAMICS;

SULFONAMIDE;

ARTICLE; DRUG STABILITY; DRUG STRUCTURE; THEORY;

EID: 0030175235     PISSN: 00084042     EISSN: None     Source Type: Journal    
DOI: 10.1139/v96-143     Document Type: Article

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