On the structure and thermochemistry of [18]annulene
- Author
- SCHULMAN, J. M; DISCH, R. L
City univ. New York, Queens coll., dep. chemistry, Flushing NY 11367, United States - Source
Journal of molecular structure. Theochem. 1991, Vol 234, pp 213-225 ; ref : 44 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)
- Annulène Approximation coeur gelé Chaleur formation Composé cyclique insaturé Composé monocyclique Composé organique Conformation Corrélation électronique Energie totale Etude théorique Fonction polarisation Hydrocarbure Macrocycle Méthode SCF Méthode ab initio Orbitale gaussienne Partition Moller Plesset Propriété thermodynamique [18]Annulène
- Keyword (en)
- Annulene Frozen core approximation Heat of formation Unsaturated cyclic compound Monocyclic compound Organic compounds Conformation Electron correlation Total energy Theoretical study Polarization function Hydrocarbon Macrocycle SCF method Ab initio method Gaussian orbital Moller Plesset partition Thermodynamic properties
- Keyword (es)
- Anuleno Aproximación núcleo congelado Calor formación Compuesto cíclico insaturado Compuesto monocíclico Compuesto orgánico Conformación Correlación electrónica Energía total Estudio teórico Función polarización Hidrocarburo Macrociclo Método SCF Método ab initio Orbital gaussiano Partición Moller Plesset Propiedad termodinámica
- 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
- 4996397
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(91)89014-R 
https://dx.doi.org/10.1016/0166-1280(91)89014-R
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