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A THEORETICAL STUDY OF PROPADIENONE AND ITS ISOMERS PROPYNAL AND CYCLOPROPENONE

Author
KOMORNICKI A; DYKSTRA CE; VINCENT MA; RADOM L
POLYATOMICS RESEARCH INC./MOUNTAIN VIEW CA 94043/USA
Source
J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 7; PP. 1652-1656; BIBL. 33 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE METHODE AB INITIO METHODE SCF MO ORBITALE GAUSSIENNE DIMENSION BASE COMPOSE ORGANIQUE COMPOSE ALIPHATIQUE ETHYLENIQUE COMPOSE ALIPHATIQUE ACETYLENIQUE ALDEHYDE COMPOSE CYCLIQUE INSATURE COMPOSE MONOCYCLIQUE CETONE ENERGIE TOTALE STABILITE DISTRIBUTION CHARGE ELECTRONIQUE CONFORMATION CETENES CETENE(METHYLENE) PROPYNAL CYCLOPROPENONE CORRELATION ELECTRONIQUE MOMENT DIPOLAIRE DECOMPOSITION CHIMIQUE TRANSITION VIBRATIONNELLE ENERGIE TRANSITION ISOMERE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
THEORETICAL STUDY AB INITIO METHOD SCF MO METHOD GAUSSIAN ORBITAL BASIS SET SIZE ORGANIC COMPOUNDS ETHYLENIC ALIPHATIC COMPOUND ACETYLENIC ALIPHATIC COMPOUND ALDEHYDE UNSATURATED CYCLIC COMPOUND MONOCYCLIC COMPOUND KETONE TOTAL ENERGY STABILITY ELECTRON CHARGE DISTRIBUTION CONFORMATION KETENES ELECTRON CORRELATION DIPOLE MOMENT CHEMICAL DECOMPOSITION VIBRATIONAL TRANSITION TRANSITION ENERGY ISOMER 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
PASCAL8130510524

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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