0181364 - UFCH-W 20020022 RIV NL eng J - Článek v odborném periodiku
Polák, Rudolf - Fišer, J.
On the Electronic Structure of CN-.
Journal of Molecular Structure. Theochem. Roč. 584, č. 1 (2002), s. 69-77. ISSN 0166-1280
Grant CEP: GA ČR GA203/01/1274
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: cyanide ion * electric field gradient * molecular charge distribution
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.014, rok: 2002

The CASSCF/MRCI electronic ground state wave functions and related electric properties of CN and its anion are analyzed with the purpose of obtaining information about the bonding and charge redistribution resulting from the electron attachment to CN. Some notions on the existence of excited electronic states of CN- are presented.
Trvalý link: http://hdl.handle.net/11104/0077946