Collect. Czech. Chem. Commun.
2003, 68, 509-528
https://doi.org/10.1135/cccc20030509
The Rovibrational Dependence of the 14N Nuclear Quadrupole Coupling Constants in the X2Σ+ and B2Σ+ States of CN from the Multireference CI Approach
Rudolf Poláka,* and Jiří Fišerb
a J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, 182 23 Prague 8, Czech Republic
b Department of Physical and Macromolecular Chemistry, Faculty of Science, Charles University, 128 40 Prague 2, Czech Republic
Crossref Cited-by Linking
- Fišer J., Polák R.: On the theoretical description of nuclear quadrupole coupling in Π states of small molecules. Chemical Physics 2013, 425, 126. <https://doi.org/10.1016/j.chemphys.2013.08.007>
- Fišer J., Polák R.: A theoretical study of spectroscopy and metastability of the CN2+ dication. Chemical Phys 2012, 392, 55. <https://doi.org/10.1016/j.chemphys.2011.09.028>
- Polák R, Fišer J: A comparative icMRCI study of some NO+, NO and NO− electronic ground state properties. Chemical Phys 2004, 303, 73. <https://doi.org/10.1016/j.chemphys.2004.04.027>
- Horká Veronika, Civiš Svatopluk, Špirko Vladimír, Kawaguchi Kentarou: The Infrared Spectrum of CN in Its Ground Electronic State. Collect. Czech. Chem. Commun. 2004, 69, 73. <https://doi.org/10.1135/cccc20040073>
- Polák R, Fišer J: On the behavior of the low-lying 2Σ+ electronic states of NO. Chemical Physics Letters 2003, 377, 564. <https://doi.org/10.1016/S0009-2614(03)01179-5>
- Polák R, Fišer J: A CASSCF/icMRCI study of the electric field gradient in low-lying electronic states of N2+/N2. Chemical Phys 2003, 290, 177. <https://doi.org/10.1016/S0301-0104(03)00138-1>
