Electronic properties of neuroleptics: Ionization energies of benzodiazepines

Journal of Molecular Modeling

Volumn 17, Issue 2, 2011, Pages 281-287

  Millefiori, Salvatore ^a   Alparone, Andrea ^a  

^a UNIVERSITY OF CATANIA   (Italy)

Author keywords

Benzodiazepines; DFT calculations; Electron propagator theory calculations; Vertical electron affinities; Vertical ionization energies

Indexed keywords

MEDAZEPAM; NORDAZEPAM;

ARTICLE; CHEMICAL STRUCTURE; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; DRUG STABILITY; IONIZATION; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; VERTICAL IONIZATION ENERGY;

ANTIPSYCHOTIC AGENTS; ELECTRONS; MEDAZEPAM; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NORDAZEPAM;

EID: 79551601678     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0723-7     Document Type: Article

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