SELF-CONSISTENT MOLECULAR ORBITAL METHODS. XXI: SMALL SPLIT-VALENCE BASIS SETS FOR FIRST-ROW ELEMENTS
- Author
- BINKLEY JS; POPLE JA; HEHRE WJ
CARNEGIE-MELLON UNIV., DEP. CHEM.,PITTSBURGH PA 15213,USA - Source
- J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 3; PP. 939-947; BIBL. 18 REF.
- Document type
- Article
- Language
- English
- Keyword (fr)
- MOLECULE CONFORMATION ENERGIE TOTALE TRANSITION VIBRATIONNELLE ENERGIE TRANSITION MOMENT DIPOLAIRE ETUDE THEORIQUE METHODE AB INITIO ORBITALE GAUSSIENNE DIMENSION BASE METHODE SCF MO MOLECULE PETITE LITHIUM HYDRURE BERYLLIUM HYDRURE BORANE METHANE AMMONIAC EAU HYDROGENE FLUORURE LITHIUM MOLECULE LITHIUM FLUORURE AZOTE MOLECULE CARBONE MONOXYDE FLUOR MOLECULE HYDROGENE MOLECULE COMPOSE MINERAL MOLECULE DIATOMIQUE MOLECULE TRIATOMIQUE COMPOSE ORGANIQUE PHYSIQUE ATOMIQUE PHYSIQUE MOLECULAIRE
- Keyword (en)
- MOLECULES CONFORMATION TOTAL ENERGY VIBRATIONAL TRANSITION TRANSITION ENERGY DIPOLE MOMENT THEORETICAL STUDY AB INITIO METHOD GAUSSIAN ORBITAL BASIS SET SIZE SCF MO METHOD SMALL MOLECULE LITHIUM HYDRIDE BERYLLIUM HYDRIDE BORANE METHANE AMMONIA WATER HYDROFLUORIC ACID LITHIUM FLUORIDE CARBON MONOXIDE INORGANIC COMPOUND DIATOMIC MOLECULE TRIATOMIC MOLECULE ORGANIC COMPOUNDS ATOMIC PHYSICS MOLECULAR PHYSICS
- Keyword (es)
- FISICA ATOMICA FISICA MOLECULAR
- Classification
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- PASCAL8040328890
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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