Pi Electronic Structure of the Benzene Molecule

Autor:	M. P. Barnett, J. W. Moskowitz
Rok vydání:	1963
Předmět:	chemistry.chemical_compound chemistry Pi General Physics and Astronomy Molecule Molecular orbital Electronic structure Physical and Theoretical Chemistry Atomic physics Benzene Molecular physics
Zdroj:	The Journal of Chemical Physics. 39:1557-1560
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.1734479
Popis:	A configuration‐interaction calculation in a molecular orbital basis has been performed for the benzene molecule. The Goeppert‐Mayer and Sklar core approximation has been assumed. All three‐ and four‐center integrals have been accurately computed.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::967d69f3e011630b5b0a3f234e338400 https://doi.org/10.1063/1.1734479 Zobrazit plný text záznamu