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A SYSTEMATIC PREPARATION OF NEW CONTRACTED GAUSSIAN-TYPE ORBITAL SETS. VI: AB INITIO CALCULATION ON MOLECULES CONTAINING NA THROUGH CL

Author
SAKAI Y; TATEWAKI H; HUZINAGA S
UNIV. ALBERTA, DEP. CHEM./EDMONTON AB/CAN
Source
J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1981; VOL. 2; NO 1; PP. 108-125; BIBL. 11 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE METHODE AB INITIO METHODE SCF MO DIMENSION BASE COMPOSE MINERAL MOLECULE DIATOMIQUE MOLECULE TRIATOMIQUE CONFORMATION CONSTANTE MOLECULAIRE ENERGIE ATOMISATION STRUCTURE ELECTRONIQUE ORBITALE GAUSSIENNE CONTRACTEE MOLECULE PETITE HYDROGENE SULFURE SOUFRE DIOXYDE HYDROGENE CHLORURE CHLORE MOLECULE SODIUM CHLORURE PHOSPHORE MOLECULE SODIUM HYDRURE ALUMINIUM FLUORURE ALUMINIUM CHLORURE CHLORE FLUORURE SODIUM MOLECULE SILICIUM MOLECULE MAGNESIUM HYDRURE CHLORE TRIFLUORURE SILANE FONCTION POLARISATION PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
THEORETICAL STUDY AB INITIO METHOD SCF MO METHOD BASIS SET SIZE INORGANIC COMPOUND DIATOMIC MOLECULE TRIATOMIC MOLECULE CONFORMATION MOLECULAR CONSTANT ATOMIZATION ENERGY ELECTRONIC STRUCTURE CONTRACTED GAUSSIAN ORBITAL SMALL MOLECULE HYDROGEN SULFIDE SULFUR DIOXIDE HYDROCHLORIC ACID SODIUM CHLORIDE SODIUM HYDRIDE ALUMINIUM FLUORIDE ALUMINIUM CHLORIDE MAGNESIUM HYDRIDE SILANE POLARIZATION FUNCTION 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
PASCAL8130475499

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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