Autor:	J. M. Schulman, Jules W. Moskowitz
Rok vydání:	1967
Předmět:	Pi system Hydrogen Chemistry General Physics and Astronomy chemistry.chemical_element Charge density Electron chemistry.chemical_compound Ionization Physics::Atomic and Molecular Clusters Physics::Atomic Physics Physical and Theoretical Chemistry Atomic physics Benzene Carbon
Zdroj:	The Journal of Chemical Physics. 47:3491-3495
ISSN:	1089-7690 0021-9606
DOI:	10.1063/1.1712415
Popis:	Benzene ground and two pi ionized states, 2A2u and 2E1g, have been studied by the self‐consistent‐field method using contracted Gaussians as basis. Ionization potentials are assigned. A transfer of sigma charge density from hydrogen to carbon has been found to result from electron removal from the pi system.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::c6028967cbe73408531fb61a1c701868 https://doi.org/10.1063/1.1712415 Zobrazit plný text záznamu