Ab initio investigation of the heats of formation of several trifluoromethyl compounds
- Author
- SCHNEIDER, W. F; WALLINGTON, T. J
Ford Motor Co., Ford res. lab., Dearborn MI 48121-2053, United States - Source
Journal of physical chemistry (1952). 1993, Vol 97, Num 49, pp 12783-12788
- 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 Chaleur formation Chaleur réaction Corrélation électronique Energie dissociation Energie thermique Enthalpie Etude théorique Longueur liaison Méthode ab initio Partition Moller Plesset Propriété thermodynamique Radical libre organique Structure moléculaire Fluoroforme Méthanol(trifluoro) Méthoxyle(trifluoro) Méthyle(trifluoro) Méthylperoxyle(trifluoro) Composé organique
- Keyword (en)
- Bond angle Heat of formation Heat of reaction Electron correlation Dissociation energy Thermal energy Enthalpy Theoretical study Bond length Ab initio method Moller Plesset partition Thermodynamic properties Organic free radical Molecular structure Organic compounds
- Keyword (es)
- Angulo enlace Calor formación Calor reacción Correlación electrónica Energía disociación Energía térmica Entalpía Estudio teórico Longitud enlace Método ab initio Partición Moller Plesset Propiedad termodinámica Radical libre orgánico Estructura molecular Compuesto orgánico
- 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 / 001C Chemistry / 001C01 General and physical chemistry / 001C01E Chemical thermodynamics / 001C01E02 Thermodynamic properties / 001C01E02A Elements, mineral and organic compounds
- Discipline
- Atomic and molecular physics General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 3895255
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/j100151a025 
https://dx.doi.org/10.1021/j100151a025
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