Structure and harmonic vibrational frequencies of cyclopentadiene in the lowest singlet states
- Author
- KOVAR, T; LISCHKA, H
Univ. Wien, Inst. Theoretische Chemie Strahlenchemie, 1090 Vienna, Austria - Source
Journal of molecular structure. Theochem. 1994, Vol 303, pp 71-82 ; ref : 32 ref
- CODEN
- JMOSB4
- ISSN
- 0166-1280
- Scientific domain
- Atomic molecular physics
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Calcul SCF Composé organique Cyclopentadiène Energie transition Energie Etat excité Etat fondamental Etude théorique Hydrocarbure Interaction configuration Mode oscillation Oscillateur harmonique Singulet Structure moléculaire Transition niveau énergie
- Keyword (en)
- SCF calculations Organic compounds Cyclopentadiene Transition energy Energy Excited states Ground states Theoretical study Hydrocarbons Configuration interaction Oscillation modes Harmonic oscillators Singlet Molecular structure Energy-level transitions
- Keyword (es)
- Energía transición Singlete
- 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
- Pascal
- 001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30C Molecular properties and interactions with photons / 001B30C15 Properties of molecules and molecular ions / 001B30C15M Rotation, vibration and vibration-rotation constants
- Discipline
- Atomic and molecular physics
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 3914683
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
10.1016/0166-1280(94)80175-4 
https://dx.doi.org/10.1016/0166-1280(94)80175-4
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