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
- 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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