AB INITIO CALCULATION OF SPIN DENSITIES IN HYDROCARBON RADICALS
- Author
- CHIPMAN DM
UNIV. NOTRE DAME, RADIATION LAB.,NOTRE DAME IN 46556,USA - Source
- J. CHEM. PHYS.; USA; DA. 1979; VOL. 71; NO 2; PP. 761-768; BIBL. 63 REF.
- Document type
- Article
- Language
- English
- Keyword (fr)
- RADICAL LIBRE ORGANIQUE COMPOSE CONJUGUE HYDROCARBURE ALIPHATIQUE ETHYLENIQUE HYDROCARBURE ALIPHATIQUE ACETYLENIQUE HYDROCARBURE ALIPHATIQUE SATURE HYDROCARBURE CYCLIQUE INSATURE COMPOSE MONOCYCLIQUE DENSITE SPIN ETUDE THEORIQUE METHODE AB INITIO SPECTRE RPE CONSTANTE COUPLAGE HYPERFIN THEORIE HARTREE FOCK SANS CONTRAINTE ORBITALE GAUSSIENNE DIMENSION BASE THEORIE HARTREE FOCK AVEC SPIN VINYLE ETHYNYLE METHYLE ETHYLE ALLYLE CYCLOHEXADIENYLE COMPOSE ORGANIQUE THEORIE HARTREE FOCK PROJECTION SPIN PHYSIQUE ATOMIQUE PHYSIQUE MOLECULAIRE
- Keyword (en)
- ORGANIC FREE RADICAL CONJUGATED COMPOUND MONOCYCLIC COMPOUND SPIN DENSITY THEORETICAL STUDY AB INITIO METHOD EPR SPECTRA HYPERFINE COUPLING CONSTANT UNRESTRICTED HARTREE FOCK THEORY GAUSSIAN ORBITAL BASIS SET SIZE SPIN HARTREE FOCK THEORY ORGANIC COMPOUNDS ATOMIC PHYSICS MOLECULAR PHYSICS
- Keyword (es)
- FISICA ATOMICA FISICA MOLECULAR
- Classification
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- PASCAL8040047269
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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