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THE EFFECT OF SUBSTITUTION ON THE PROPERTIES OF A CHEMICAL GROUP. II: AN ANALYSIS OF THE SCF DESCRIPTION OF CHANGES IN THE C=C GROUP IN MONOSUBSTITUTED ETHYLENES AND ACRYLONITRILES

Author
GHIO C; SCROCCO E; TOMASI J
CNR, LAB. CHIM. QUANTIST. ENERGET. MOLECOLARE/PISA 56100/ITA
Source
THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 56; NO 1; PP. 61-73; BIBL. 9 REF.
Document type
Article
Language
English
Keyword (fr)
COMPOSE ORGANIQUE ENERGIE TOTALE MOMENT DIPOLAIRE ETUDE THEORIQUE METHODE AB INITIO METHODE SCF MO ORBITALE GAUSSIENNE NITRILE STEREOISOMERE CIS STEREOISOMERE TRANS COMPOSE ALIPHATIQUE ETHYLENIQUE DISTRIBUTION CHARGE ELECTRONIQUE EFFET SUBSTITUANT ACRYLONITRILE ETHYLENE ETHYLENE(FLUORO) ETHYLENOL VINYLAMINE PROPENE ACRYLONITRILE(HYDROXY-2) ACRYLONITRILE(AMINO-2) METHACRYLONITRILE ACRYLONITRILE(FLUORO-2) ACRYLONITRILE(FLUORO-3) ACRYLONITRILE(HYDROXY-3) ACRYLONITRILE(AMINO-3) BUTENE-2NITRILE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
ORGANIC COMPOUNDS TOTAL ENERGY DIPOLE MOMENT THEORETICAL STUDY AB INITIO METHOD SCF MO METHOD GAUSSIAN ORBITAL NITRILE CIS STEREOISOMER TRANS STEREOISOMER ETHYLENIC ALIPHATIC COMPOUND ELECTRON CHARGE DISTRIBUTION SUBSTITUENT EFFECT ACRYLONITRILE ETHYLENE ETHYLENE(FLUORO) PROPENE MOLECULAR PHYSICS ATOMIC PHYSICS
Keyword (es)
FISICA MOLECULAR FISICA ATOMICA
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics

Discipline
Atomic and molecular physics
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
PASCAL8130019123

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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