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A THEORETICAL INVESTIGATION OF THE STRUCTURE AND REACTIVITY OF CARBON-CENTRED RADICALS

Author
LEROY G; PEETERS D
UNIV. CATHOL. LOUVAIN, LAB. CHIM. QUANT./LOUVAIN-LA-NEUVE 1348/BEL
Source
J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1981; VOL. 85; NO 1-2; PP. 133-152; BIBL. 4 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE METHODE AB INITIO ORBITALE GAUSSIENNE THEORIE HARTREE FOCK SANS CONTRAINTE ENERGIE TOTALE COMPOSE ORGANIQUE COMPOSE ALIPHATIQUE SATURE EFFET SUBSTITUANT ENERGIE RESONANCE ENERGIE DISSOCIATION PROPRIETE THERMODYNAMIQUE DIMERISATION STABILITE CONFORMATION REACTIVITE CHIMIQUE RADICAL LIBRE ORGANIQUE METHYLE METHYLE(FLUORO) METHYLE(HYDROXY) METHYLE(CYANO) METHYLE(DIFLUORO) METHYLE(DIHYDROXY) METHYLE(DICYANO) METHYLE(CYANO FLUORO) METHYLE(CYANO HYDROXY) PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE CHIMIE ORGANIQUE
Keyword (en)
THEORETICAL STUDY AB INITIO METHOD GAUSSIAN ORBITAL UNRESTRICTED HARTREE FOCK THEORY TOTAL ENERGY ORGANIC COMPOUNDS SATURATED ALIPHATIC COMPOUND SUBSTITUENT EFFECT RESONANCE ENERGY DISSOCIATION ENERGY THERMODYNAMIC PROPERTIES DIMERIZATION STABILITY CONFORMATION ORGANIC FREE RADICAL MOLECULAR PHYSICS ATOMIC PHYSICS ORGANIC CHEMISTRY
Keyword (es)
FISICA MOLECULAR FISICA ATOMICA QUIMICA ORGANICA
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics

Pascal
001 Exact sciences and technology / 001C Chemistry / 001C03 Organic chemistry

Discipline
Atomic and molecular physics Organic chemistry
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
PASCAL82X0118608

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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