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The leap-frog effect of ring currents in benzene

Author
LIGABUE, Andrea1 ; SONCINI, Alessandro1 ; LAZZERETTI, Paolo1
[1] Dipartimento di Chimica, Università degli Studi di Modena e Reggio Emilia, via G. Campi 183, 41100 Modena, Italy
Source

Journal of the American Chemical Society. 2002, Vol 124, Num 9, pp 2008-2014

CODEN
JACSAT
ISSN
0002-7863
Scientific domain
Biochemistry, molecular biology, biophysics; Chemistry; Organic chemistry; Atomic molecular physics
Publisher
American Chemical Society, Washington, DC
Publication country
United States
Document type
Article
Language
English
Keyword (fr)
Aromaticité Benzène Calcul Hartree Fock Calcul SCF Calcul ab initio Composé organique Courant cycle Etude théorique Hydrocarbure Propriété magnétique Système électron pi H6 Modèle saut grenouille
Keyword (en)
Aromaticity Benzene Hartree-Fock calculations SCF calculations Ab initio calculations Organic compounds Cycle current Theoretical study Hydrocarbons Magnetic properties Pi electron system
Keyword (es)
Aromaticidad Corriente ciclo Sistema electrón pi
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) / 001B30A15A Ab initio calculations

Pacs
3115A Ab initio calculations

Discipline
Atomic and molecular physics
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
13547491

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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