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ECONOMICAL GEOMETRY OPTIMIZATION IN FIRST ROW MOLECULES WITH BOND FUNCTION AUGMENTED BASIS SETS.

Author
CARLSEN NR
RES. SCH. CHEM., AUST. NATL. UNIV., CANBERRA, A.C.T. 2600, AUST.
Source
CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 51; NO 1; PP. 192-196; BIBL. 24 REF.
Document type
Article
Language
English
Keyword (fr)
MOLECULE CONFORMATION OPTIMISATION ETUDE THEORIQUE METHODE AB INITIO ORBITALE GAUSSIENNE ORBITALE LIAISON MOLECULE PETITE ENERGIE TOTALE OXYGENE MOLECULE AZOTE MOLECULE HYDROGENE FLUORURE EAU AMMONIAC METHANE CARBONE MONOXYDE HYDROGENE CYANURE ACETYLENE ETHYLENE ETHANE FORMALDEHYDE METHANE(FLUORO) COMPOSE MINERAL COMPOSE ORGANIQUE MOLECULE DIATOMIQUE MOLECULE TRIATOMIQUE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
MOLECULES CONFORMATION OPTIMIZATION THEORETICAL STUDY AB INITIO METHOD GAUSSIAN ORBITAL BOUND ORBITAL SMALL MOLECULE TOTAL ENERGY HYDROFLUORIC ACID WATER AMMONIA METHANE CARBON MONOXIDE ACETYLENE ETHYLENE ETHANE FORMALDEHYDE INORGANIC COMPOUND ORGANIC COMPOUNDS DIATOMIC MOLECULE TRIATOMIC MOLECULE 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
PASCAL7840124075

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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