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hal.structure.identifierLaboratoire d'Opto-électronique et de Physico-Chimie des Matériaux
dc.contributor.authorEL ASSYRY, Abdeslam
hal.structure.identifierLaboratoire d'Opto-électronique et de Physico-Chimie des Matériaux
dc.contributor.authorBENALI, Bouziane
hal.structure.identifierLaboratoire d'Opto-électronique et de Physico-Chimie des Matériaux
dc.contributor.authorBOUCETTA, Abdelkhalek
hal.structure.identifierLaboratoire Ondes et Matière d'Aquitaine [LOMA]
dc.contributor.authorMONDIEIG, Denise
dc.date.created2012-11-12
dc.date.issued2014
dc.identifier.issn0922-6168
dc.description.abstractEnIn this study, heat energy, atomic charges and dipole moments permit qualitative predictions about the substituent effects by a chlorine or methyl group on the benzodiazepine properties in the ground state. AM1 and MNDO semi-empirical methods of calculation are used to obtain information on the structural and energy properties for some benzodiazepine derivatives.
dc.language.isoen
dc.publisherSpringer Verlag
dc.rights.urihttp://creativecommons.org/licenses/by-sa/
dc.subject.enBenzodiazepine
dc.subject.en3-Chlorobenzodiazepine
dc.subject.en3-Methylbenzodiazepine
dc.subject.enAM1
dc.subject.enMNDO
dc.subject.enConformational and energy properties
dc.subject.enDipole moment
dc.title.enTheoretical investigation of the Cl and CH3 substitutions effect on structural and energy behavior of benzodiazepine
dc.typeArticle de revue
dc.identifier.doi10.1007/s11164-013-1019-1
dc.subject.halChimie/Chimie théorique et/ou physique
bordeaux.journalResearch on Chemical Intermediates
bordeaux.page1043-1052
bordeaux.volume40
bordeaux.issue3
bordeaux.peerReviewedoui
hal.identifierhal-00975033
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00975033v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Research%20on%20Chemical%20Intermediates&rft.date=2014&rft.volume=40&rft.issue=3&rft.spage=1043-1052&rft.epage=1043-1052&rft.eissn=0922-6168&rft.issn=0922-6168&rft.au=EL%20ASSYRY,%20Abdeslam&BENALI,%20Bouziane&BOUCETTA,%20Abdelkhalek&MONDIEIG,%20Denise&rft.genre=article


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