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COMPLETE ACTIVE SPACE SCF (CAS SCF) CALCULATIONS ON THE EQUILIBRIUM GEOMETRY AND VIBRATIONAL SPECTRUM OF THE HNO MOLECULE IN ITS LOWEST 1A', 1A" AND 3A" STATES

Author
HEIBERG A; ALMLOEF J
UNIV. OSLO, DEP. CHEM./OSLO 3/NOR
Source
CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 85; NO 5-6; PP. 542-548; BIBL. 27 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE METHODE SCF APPROXIMATION MULTICONFIGURATIONNELLE COMPOSE MINERAL MOLECULE TRIATOMIQUE SURFACE POTENTIEL ENERGIE TRANSITION ESPECE ISOTOPIQUE TRANSITION ELECTRONIQUE TRANSITION SINGULET TRIPLET MOMENT DIPOLAIRE CONFORMATION TRANSITION VIBRATIONNELLE INTERACTION CONFIGURATION NITROXYLE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
THEORETICAL STUDY SCF METHOD MULTICONFIGURATIONAL APPROXIMATION INORGANIC COMPOUND TRIATOMIC MOLECULE POTENTIAL SURFACE TRANSITION ENERGY DIPOLE MOMENT CONFORMATION VIBRATIONAL TRANSITION CONFIGURATION INTERACTION NITROXYL 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
PASCAL82X0229142

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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