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A MODIFIED PCILO METHOD. I. SECOND-ORDER ENERGY USING CNDO/2 AND INDO HAMILTONIAN APPROXIMATIONS

Author
BOCA R; PELIKAN P
SLOVAK TECH. UNIV. FAC. CHEM. TECHNOL., BRATISLAVA 88037, CSK
Source
THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 50; NO 1; PP. 11-19; BIBL. 27 REF.
Document type
Article
Language
English
Keyword (fr)
STRUCTURE ELECTRONIQUE ENERGIE ELECTRONIQUE TOTALE INTERACTION CONFIGURATION ETUDE THEORIQUE METHODE PCILO METHODE CNDO 2 METHODE INDO MOLECULE PETITE ORBITALE LOCALISEE MOLECULE DIATOMIQUE CONFORMATION CONSTANTE FORCE MOLECULE METHANE METHANE(FLUORO) METHANE(DIFLUORO) FLUOROFORME METHANE(TETRAFLUORO) LITHIUM HYDRURE HYDROGENE FLUORURE LITHIUM FLUORURE CARBONE MONOXYDE COMPOSE ORGANIQUE COMPOSE MINERAL PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
ELECTRONIC STRUCTURE TOTAL ELECTRON ENERGY CONFIGURATION INTERACTION THEORETICAL STUDY PCILO METHOD CNDO 2 METHOD INDO METHOD SMALL MOLECULE LOCALIZED ORBITAL DIATOMIC MOLECULE CONFORMATION FORCE CONSTANT MOLECULES METHANE LITHIUM HYDRIDE HYDROFLUORIC ACID LITHIUM FLUORIDE CARBON MONOXIDE ORGANIC COMPOUNDS INORGANIC 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
PASCAL7940207724

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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