Features of the lowest singlet and triplet potential energy surfaces of CO3
- Author
- FROESE, R. D. J; GODDARD, J. D
Univ. Guelph, Guelph-Waterloo cent. graduate work chemistry, dep. chemistry biochemistry, Guelph ON N1G 2W1, Canada - Source
Journal of physical chemistry (1952). 1993, Vol 97, Num 29, pp 7484-7490 ; ref : 43 ref
- CODEN
- JPCHAX
- ISSN
- 0022-3654
- Scientific domain
- General chemistry, physical chemistry; Metallurgy, welding; Atomic molecular physics
- Publisher
- American Chemical Society, Washington, DC
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Angle liaison Composé minéral Conformation Corrélation électronique Etat singulet Etat triplet Etude théorique Interaction configuration Longueur liaison Molécule petite Méthode SCF Méthode SD CI Méthode ab initio Méthode amas couplé Partition Moller Plesset Surface potentiel Carbone trioxyde
- Keyword (en)
- Bond angle Inorganic compound Conformation Electron correlation Singlet state Triplet state Theoretical study Configuration interaction Bond length Small molecule SCF method SD CI method Ab initio method Coupled cluster method Moller Plesset partition Potential surface
- Keyword (es)
- Angulo enlace Compuesto inorgánico Conformación Correlación electrónica Estado singular Estado triplete Estudio teórico Interacción configuración Longitud enlace Molécula pequeña Método SCF Método SD CI Método ab initio Método conglomerado acoplado Partición Moller Plesset Superficie potencial
- Classification
- 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
- 4883454
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
10.1021/j100131a016 
https://dx.doi.org/10.1021/j100131a016
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