SYSTEMATIC AB INITIO GRADIENT CALCULATION OF MOLECULAR GEOMETRIES, FORCE CONSTANTS, AND DIPOLE MOMENT DERIVATIVES
- Author
- PULAY P; FOGARASI G; PANG F; BOGGS JE
UNIV. TEXAS DEP. CHEM., AUSTIN TX 78712, USA - Source
- J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 10; PP. 2550-2560; BIBL. 39 REF.
- Document type
- Article
- Language
- English
- Keyword (fr)
- MOLECULE MOLECULE PETITE CONFORMATION CONSTANTE FORCE MOMENT DIPOLAIRE DERIVEE FONCTION ETUDE THEORIQUE METHODE PULAY DIMENSION BASE MOLECULE MOYENNE HYDROGENE MOLECULE BORANE METHANE AMMONIAC EAU HYDROGENE FLUORURE ACETYLENE ETHYLENE ETHANE HYDROGENE CYANURE HYDROGENE ISOCYANURE FORMALDEHYDE CARBONE MONOXYDE AZOTE MOLECULE CARBONE DIOXYDE METHYLANINE METHANOL BENZENE COMPOSE MINERAL MOLECULE DIATOMIQUE MOLECULE TRIATOMIQUE COMPOSE ORGANIQUE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
- Keyword (en)
- MOLECULES SMALL MOLECULE CONFORMATION FORCE CONSTANT DIPOLE MOMENT FUNCTION DERIVATIVE THEORETICAL STUDY PULAY METHOD BASIS SET SIZE MEDIUM SIZED MOLECULE BORANE METHANE AMMONIA WATER HYDROFLUORIC ACID ACETYLENE ETHYLENE ETHANE FORMALDEHYDE CARBON MONOXIDE CARBON DIOXIDE METHANOL BENZENE INORGANIC COMPOUND DIATOMIC MOLECULE TRIATOMIC MOLECULE ORGANIC COMPOUNDS MOLECULAR PHYSICS ATOMIC PHYSICS
- Keyword (es)
- FISICA MOLECULAR FISICA ATOMICA
- Classification
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- PASCAL7940444361
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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