CI STUDY OF GEOMETRICAL RELAXATION IN THE EXCITED STATES OF BUTADIENE. ENERGY SURFACES AND PROPERTIES FOR SIMULTANEOUS TORSION AND ELONGATION OF ONE DOUBLE BOND
- Author
- BONACIC KOUTECKY V; PERSICO M; DOEHNERT D; SEVIN A
FREIE UNIV., INST. PHYSIKALISCHE CHEMIE/BERLIN 1000/DEU - Source
- JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 25; PP. 6900-6907; BIBL. 36 REF.
- Document type
- Article
- Language
- English
- Keyword (fr)
- ETUDE THEORIQUE METHODE AB INITIO ORBITALE GAUSSIENNE COMPOSE ORGANIQUE HYDROCARBURE COMPOSE CONJUGUE ISOMERISATION ETAT VIBRONIQUE EXCITE METHODE CI INTERACTION CONFIGURATION SURFACE POTENTIEL REACTIVITE CHIMIQUE COMPOSE ALIPHATIQUE ETHYLENIQUE BUTADIENE-1,3 PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
- Keyword (en)
- THEORETICAL STUDY AB INITIO METHOD GAUSSIAN ORBITAL ORGANIC COMPOUNDS HYDROCARBON CONJUGATED COMPOUND ISOMERIZATION VIBRONIC EXCITED STATE ISOMERIZATION CI METHOD CONFIGURATION INTERACTION POTENTIAL SURFACE CHEMICAL REACTIVITY ETHYLENIC ALIPHATIC COMPOUND MOLECULAR PHYSICS ATOMIC PHYSICS
- Keyword (es)
- FISICA MOLECULAR FISICA ATOMICA
- Classification
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- PASCAL83X0354712
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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