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A THEORETICAL STUDY OF THE ELECTRONIC STRUCTURE AND PROPERTIES OF SOME FIVE-MEMBERED HETEROCYCLIC COMPOUNDS: PYRAZOLE, IMIDAZOLE, FURAN, ISOXAZOLE, 1,2,5-OXADIOLE AND 1,3,4-OXADIAZOLE

Author
TAE KYU HA
SWISS FEDERAL INST. TECHNOL., ZUERICH, CHE
Source
J. MOLEC. STRUCT.; NLD; DA. 1979; VOL. 51; NO 1; PP. 87-98; BIBL. 40 REF.
Document type
Article
Language
English
Keyword (fr)
HETEROCYCLE AZOTE HETEROCYCLE OXYGENE HETEROCYCLE OXYGENE AZOTE HETEROCYCLE INSATURE COMPOSE MONOCYCLIQUE CYCLE 2 HETEROATOMES CYCLE 1 HETEROATOME ENERGIE TOTALE NIVEAU ENERGIE ELECTRONIQUE POTENTIEL IONISATION DISTRIBUTION CHARGE ELECTRONIQUE PROPRIETE ELECTRIQUE PROPRIETE MAGNETIQUE CONSTANTE COUPLAGE QUADRIPOLAIRE ETUDE THEORIQUE METHODE AB INITIO METHODE SCF MO ORBITALE GAUSSIENNE METHODE PRDDO CYCLE 3 HETEROATOMES PYRAZOLE IMIDAZOLE FURANNE ISOXAZOLE OXADIAZOLE-1,2,5 OXADIAZOLE-1,3,4 COMPOSE ORGANIQUE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
NITROGEN HETEROCYCLE OXYGEN HETEROCYCLE OXYGEN NITROGEN HETEROCYCLE UNSATURATED HETEROCYCLE MONOCYCLIC COMPOUND TOTAL ENERGY ELECTRON ENERGY LEVEL IONIZATION POTENTIAL ELECTRON CHARGE DISTRIBUTION ELECTRICAL PROPERTIES MAGNETIC PROPERTIES QUADRUPOLE COUPLING CONSTANT THEORETICAL STUDY AB INITIO METHOD SCF MO METHOD GAUSSIAN ORBITAL PRDDO METHOD PYRAZOLE IMIDAZOLE FURAN ORGANIC COMPOUNDS 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
PASCAL7940222347

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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