Fullerene derivatives. Comparative theoretical study of C60O and C60CH2
- Author
- RAGHVACHARI, K1 ; SOSA, C
[1] AT&T Bell Laboratories, Murray Hill NJ 07974, United States - Source
Chemical physics letters. 1993, Vol 209, Num 3, pp 223-228 ; ref : 34 ref
- CODEN
- CHPLBC
- ISSN
- 0009-2614
- Scientific domain
- General chemistry, physical chemistry; Atomic molecular physics; Condensed state physics
- Publisher
- Elsevier Science, Amsterdam
- Publication country
- Netherlands
- Document type
- Article
- Language
- English
- Keyword (fr)
- Agrégat atomique Approximation densité spin locale Carbone Molécule Energie totale Etude comparative Etude théorique Fonctionnelle densité Isomère Molécule polyédrique Méthode MNDO Méthode ab initio Méthode semiempirique Oxygène Atome Spectre IR Structure moléculaire Théorie Hartree Fock C60(méthano) Fullerènes
- Keyword (en)
- Atomic cluster Local spin density approximation Carbon Molecules Total energy Comparative study Theoretical study Density functional Isomer Polyhedral molecule MNDO method Ab initio method Semiempirical method Oxygen Atoms Infrared spectrum Molecular structure Hartree Fock theory Fullerenes
- Keyword (es)
- Agregado atómico Aproximación densidad espin local Carbono Molécula Energía total Estudio comparativo Estudio teórico Funciónal densidad Isómero Molécula poliédrica Método MNDO Método ab initio Método semiempírico Oxígeno Atomo Espectro IR Estructura molecular Teoría Hartree Fock
- 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
- 4796777
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
10.1016/0009-2614(93)80097-9 
https://dx.doi.org/10.1016/0009-2614(93)80097-9
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