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A SYSTEMATIC STUDY OF THE EFFECT OF TRIPLE SUBSTITUTIONS ON THE ELECTRON CORRELATION ENERGY OF SMALL MOLECULES

Author
FRISCH MJ; RAGHAVACHARI KRISHNAN; POPLE JA
CARNEGIE-MELLON UNIV., DEP. CHEM./PITTSBURGH PA 15213/USA
Source
CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 1; PP. 66-68; BIBL. 8 REF.
Document type
Article
Language
English
Keyword (fr)
COMPOSE MINERAL MOLECULE DIATOMIQUE MOLECULE TRIATOMIQUE COMPOSE ORGANIQUE STRUCTURE ELECTRONIQUE ENERGIE TOTALE ENERGIE CORRELATION ETUDE THEORIQUE THEORIE HARTREE FOCK SANS CONTRAINTE METHODE AB INITIO ORBITALE GAUSSIENNE MOLECULE PETITE EFFET SUBSTITUANT CORRELATION ELECTRONIQUE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
INORGANIC COMPOUND DIATOMIC MOLECULE TRIATOMIC MOLECULE ORGANIC COMPOUNDS ELECTRONIC STRUCTURE TOTAL ENERGY CORRELATION ENERGY THEORETICAL STUDY UNRESTRICTED HARTREE FOCK THEORY AB INITIO METHOD GAUSSIAN ORBITAL SMALL MOLECULE SUBSTITUENT EFFECT ELECTRON CORRELATION 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
PASCAL8130226765

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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