On the structure of S42+ and its formation from 2S2+. Ab initio SCF and CASSCF studies
- Author
- SANNIGRAHI, M; GREIN, F
Univ. New Brunswick, dep. chemistry, Fredericton NB E3B 6E2, Canada - Source
Canadian journal of chemistry (Print). = Journal canadien de chimie. 1994, Vol 72, Num 2, pp 298-303 ; ref : 28 ref
- CODEN
- CJCHAG
- ISSN
- 0008-4042
- Scientific domain
- Chemistry; Crystallography; Atomic molecular physics
- Publisher
- National Research Council of Canada, Ottawa, ON
- Publication country
- Canada
- Document type
- Article
- Language
- English
- Keyword (fr)
- Agrégat atomique Angle liaison Calcul ab initio Corrélation électronique Etat vibrationnel Etude théorique Ion moléculaire Isomère Longueur liaison Méthode Hartree Fock Orbitale frontière Partition Moller Plesset Soufre ion Structure moléculaire S4 ip 2
- Keyword (en)
- Atomic clusters Bond angle Ab initio calculations Electron correlation Vibrational states Theoretical study Molecular ions Isomers Bond lengths Hartree-Fock method Frontier orbital Moller Plesset partition Sulfur ions Molecular structure
- Keyword (es)
- Orbital frontera Partición Moller Plesset
- Classification
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A15 Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) / 001B30A15A Ab initio calculations
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A25 Electron correlation calculations for atoms and molecules
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 4083124
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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DOI
10.1139/v94-046 
https://dx.doi.org/10.1139/v94-046
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