0181364 - UFCH-W 20020022 RIV NL eng J - Journal Article
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
R&D Projects: GA ČR GA203/01/1274
Institutional research plan: CEZ:AV0Z4040901
Keywords : cyanide ion * electric field gradient * molecular charge distribution
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.014, year: 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.
Permanent Link: http://hdl.handle.net/11104/0077946