Study of the structural and electronic properties of valproic acid and new derivatives used as anticonvulsant agents

Journal of Physical Chemistry A

Volumn 115, Issue 9, 2011, Pages 1686-1700

  Comelli, Nieves C ^a   Lobayan, Rosana M ^b   Castro, Eduardo A ^a   Jubert, Alicia H ^c  

^a INSTITUTO DE INVESTIGACIONES FISICOQUÍMICAS TEÓRICAS Y APLICADAS INIFTA   (Argentina)

^b Universidad de la Cuenca del Plata   (Argentina)

^c UNIVERSIDAD NACIONAL DE LA PLATA   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CHARGE; BASIS SETS; COPLANARITY; DELOCALIZATIONS; DONOR AND ACCEPTOR; ELECTRON DENSITIES; ELECTRONIC CHARACTERISTICS; ESTER DERIVATIVES; POLAR MOIETIES; STABILIZING INTERACTIONS; STRUCTURAL PARAMETER; STRUCTURE PROPERTY RELATIONSHIPS; VALPROIC ACID;

AMIDES; ELECTRONIC PROPERTIES; ESTERS;

INTELLIGENT AGENTS;

ANTICONVULSIVE AGENT; DRUG DERIVATIVE; VALPROIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRIC SHOCK; ELECTRON; STRUCTURE ACTIVITY RELATION;

ANTICONVULSANTS; ELECTRONS; ELECTROSHOCK; MODELS, MOLECULAR; MOLECULAR CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; VALPROIC ACID;

EID: 79952256765     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1081998     Document Type: Article

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