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ROTATIONAL AND VIBRATIONNAL SPECTRA OF ETHYNOL FROM QUANTUM-MECHANICAL CALCULATIONS

Author
DE FREES DJ; MCLEAN AD
MOLECULAR RES. INST./PALO ALTO CA 94304/USA
Source
J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1982; VOL. 86; NO 15; PP. 2835-2837; BIBL. 30 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE METHODE AB INITIO METHODE CI DIMENSION BASE COMPOSE ORGANIQUE ALCOOL MOLECULE PETITE ENERGIE TOTALE TRANSITION ROTATIONNELLE ENERGIE TRANSITION CONSTANTE ROTATION MOMENT DIPOLAIRE INTENSITE CONFORMATION TRANSITION VIBRATIONNELLE COMPOSE ALIPHATIQUE ACETYLENIQUE ETHYNOL FONCTION POLARISATION PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
THEORETICAL STUDY AB INITIO METHOD CI METHOD BASIS SET SIZE ORGANIC COMPOUNDS ALCOHOL SMALL MOLECULE TOTAL ENERGY ROTATIONAL TRANSITION TRANSITION ENERGY ROTATIONAL CONSTANT DIPOLE MOMENT INTENSITY CONFORMATION VIBRATIONAL TRANSITION ACETYLENIC 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
PASCAL83X0095806

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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