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FORMATION OF HYDROGEN-BONDED VAN DER WAALS MOLECULES: APPLICABILITY OF 3-21G INTERMOLECULAR INTERACTION ENERGIES

Author
HOBZA P; ZAHRADNIK R
INST. HYG. EPIDEMIOL./PRAGUE 10042/CSK
Source
CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 82; NO 3; PP. 473-477; BIBL. 16 REF.
Document type
Article
Language
English
Keyword (fr)
ETUDE THEORIQUE METHODE AB INITIO METHODE SCF MO ETUDE COMPARATIVE DIMENSION BASE ORBITALE GAUSSIENNE DIMERE COMPOSE MINERAL MOLECULE DIATOMIQUE MOLECULE TRIATOMIQUE MOLECULE VAN DER WAALS LIAISON HYDROGENE CONFIGURATION GEOMETRIQUE MOLECULE PETITE HYDROGENE FLUORURE EAU HYDROGENE CHLORURE CARBONE DIOXYDE HYDROGENE CYANURE PHYSIQUE MOLECULAIRE PHYSIQUE ATOMIQUE
Keyword (en)
THEORETICAL STUDY AB INITIO METHOD SCF MO METHOD COMPARATIVE STUDY BASIS SET SIZE GAUSSIAN ORBITAL DIMER INORGANIC COMPOUND DIATOMIC MOLECULE TRIATOMIC MOLECULE VAN DER WAALS MOLECULE HYDROGEN BOND GEOMETRICAL CONFIGURATION SMALL MOLECULE HYDROGEN FLUORIDES WATER HYDROGEN CHLORIDES CARBON DIOXIDE HYDROGEN CYANIDES 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
PASCAL82X0067235

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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