Ab initio study on the low-lying triplet states of pyridine
- Author
- SHIN-ICHI NAGAOKA; UMPEI NAGASHIMA
Inst. molecular sci., Myodaiji, Okazaki 444, Japan - Source
Journal of physical chemistry (1952). 1990, Vol 94, Num 11, pp 4467-4469 ; ref : 20 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)
- Composé organique Conformation Courbe potentiel Etat triplet Etude théorique Hétérocycle azote Méthode CI Méthode SCF Méthode ab initio Partition Moller Plesset
- Keyword (en)
- Organic compounds Conformation Potential energy curve Triplet state Theoretical study Nitrogen heterocycle CI method SCF method Ab initio method Moller Plesset partition
- Keyword (es)
- Compuesto orgánico Conformación Curva potencial Estado triplete Estudio teórico Heterociclo nitrógeno Método CI Método SCF Método ab initio 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)
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 5040603
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/j100374a022 
https://dx.doi.org/10.1021/j100374a022
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