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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
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
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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