0181365 - UFCH-W 20020023 RIV NL eng J - Článek v odborném periodiku
Polák, Rudolf - Fišer, J.
Multireference CI Calculation of Nuclear Quadrupole Coupling Constants of CN+ and CN-: Rovibrational Dependence.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 58, č. 9 (2002), s. 2029-2041. ISSN 1386-1425. E-ISSN 1873-3557
Grant CEP: GA ČR GA203/01/1274; GA ČR GA203/00/0600
Výzkumný záměr: CEZ:AV0Z4040901
Klíčová slova: N quadrupole coupling constants * rovibrational dependence * electric dipole moment
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 1.046, rok: 2002

The N quadrupole coupling constants of rovibrational levels of the X and c singlet sigma + states of CN+, and of the ground electronic state of CN-, are calculated to fill up the lack of high-resolution spectroscopic constants for molecular ions. From the electronic states considered, the excited c singlet sigma + state of CN+ is predicted to exhibit the strongest N coupling.
Trvalý link: http://hdl.handle.net/11104/0077947