The search of small reliable Gaussian basis sets for pseudopotential calculations. II: Intermolecular interactions
- Author
- LES, A1 ; BLAKE, I. O
[1] Univ. nacional autonoma Mexico, inst. fisica, Mexico - Source
Acta physica Polonica. A. 1987, Vol 72, Num 4, pp 599-608 ; ref : 29 ref
- CODEN
- ATPLB6
- ISSN
- 0587-4246
- Scientific domain
- Condensed state physics; Physics
- Publisher
- Polska Akademia Nauk, Kraków
/
Polska Akademia Nauk, Warszawa
- Publication country
- Poland
- Document type
- Article
- Language
- English
- Keyword (fr)
- Ammoniac Calcium Ion atomique Composé minéral Composé organique Dimension base Dimère Eau Etude théorique Hydrogène Chlorure Hydrogène Fluorure Interaction intermoléculaire Ion multichargé Ion positif Liaison hydrogène Magnésium Ion atomique Molécule diatomique Molécule petite Molécule triatomique Méthane Méthode ab initio Orbitale gaussienne Pseudopotentiel Solvatation Trimère Zinc Ion atomique
- Keyword (en)
- Ammonia Calcium Atomic ions Inorganic compound Organic compounds Basis set size Dimer Water Theoretical study Hydrogen Chlorides Hydrogen Fluorides Intermolecular interaction Multicharged ion Positive ion Hydrogen bond Magnesium Atomic ions Diatomic molecule Small molecule Triatomic molecule Methane Ab initio method Gaussian orbital Pseudopotential Solvation Trimer Zinc Atomic ions
- Keyword (es)
- Amoníaco Calcio Compuesto mineral Compuesto organico Dimensión base Dímero Agua Estudio teórico Hidrógeno Hidrógeno Interacción intermolecular Ión multicarga Ión positivo Enlace hidrógeno Magnesio Molécula diatómica Molécula pequeña Molécula triatómica Metano Método ab initio Orbital gaussiano Seudopotencial Solvatación Trímero Zinc
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A70 Effects of atomic and molecular interactions on electronic structure / 001B30A70D Environmental and solvent effects
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 7691241
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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