Electronic structure and conformational properties of 1H-indole-3-acetic acid

Journal of Molecular Modeling

Volumn 17, Issue 6, 2011, Pages 1227-1239

  Pérez Schmit, María C ^a   Jubert, Alicia H ^b   Vitale, Arturo ^c   Lobayan, Rosana M ^a  

^a Universidad de la Cuenca del Plata   (Argentina)

^b FACULTAD DE CIENCIAS EXACTAS   (Argentina)

^c UNIVERSIDAD DE BUENOS AIRES   (Argentina)

Author keywords

1H indole 3 acetic acid (IAA); Atoms in molecules (AIM theory); Density functional theory; Maps of electrostatic potential; Natural bond orbital analysis; Topological properties

Indexed keywords

1H INDOLE 3 ACETIC ACID; HYDROGEN; INDOLE DERIVATIVE; UNCLASSIFIED DRUG;

ANTIOXIDANT ACTIVITY; ARTICLE; CALCULATION; DRUG CONFORMATION; DRUG STABILITY; HYDROGEN BOND; MOLECULAR DYNAMICS; PRIORITY JOURNAL; STATIC ELECTRICITY;

ALGORITHMS; ELECTROCHEMISTRY; ELECTRONS; HYDROGEN BONDING; INDOLEACETIC ACIDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SURFACE PROPERTIES; THERMODYNAMICS;

EID: 79958175149     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0804-7     Document Type: Article

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