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Fišer, J., Polák, R. (2013) On the theoretical description of nuclear quadrupole coupling in Π states of small molecules. Chemical Physics, 425. 126-133 doi:10.1016/j.chemphys.2013.08.007

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Reference TypeJournal (article/letter/editorial)
TitleOn the theoretical description of nuclear quadrupole coupling in Π states of small molecules
JournalChemical Physics
AuthorsFišer, J.Author
Polák, R.Author
Year2013 (November)Volume425
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2013.08.007Search in ResearchGate
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Mindat Ref. ID5963536Long-form Identifiermindat:1:5:5963536:7
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Full ReferenceFišer, J., Polák, R. (2013) On the theoretical description of nuclear quadrupole coupling in Π states of small molecules. Chemical Physics, 425. 126-133 doi:10.1016/j.chemphys.2013.08.007
Plain TextFišer, J., Polák, R. (2013) On the theoretical description of nuclear quadrupole coupling in Π states of small molecules. Chemical Physics, 425. 126-133 doi:10.1016/j.chemphys.2013.08.007
In(n.d.) Chemical Physics Vol. 425. Elsevier BV

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Polák, R., Fišer, J. (2008) Theoretical study of 14N quadrupole coupling constants in some NO-containing complexes: N2O3 and FNO. Chemical Physics, 351. 83-90 doi:10.1016/j.chemphys.2008.03.032
Fišer, J., Polák, R. (2012) A theoretical study of spectroscopy and metastability of the CN2+ dication. Chemical Physics, 392. 55-62 doi:10.1016/j.chemphys.2011.09.028
Polák, R., Fišer, J. (2010) Theoretical study of electric field gradients at nitrogen nuclei in HNO, CH3NO and C2H3NO. Chemical Physics, 375. 85-91 doi:10.1016/j.chemphys.2010.07.026
Polák, Rudolf, Fišer, Jiří (2003) The Rovibrational Dependence of the 14N Nuclear Quadrupole Coupling Constants in the X2Σ+ and B2Σ+ States of CN from the Multireference CI Approach. Collection of Czechoslovak Chemical Communications, 68. 509-528 doi:10.1135/cccc20030509
Fišer, J., Polák, R. (2009) A theoretical study of the BO2+ dication. Chemical Physics Letters, 471. 198-201 doi:10.1016/j.cplett.2009.02.038
Polák, R., Fišer, J. (2006) Multiconfiguration SCF electric field gradients in (NO)2 and its singly charged ions. Chemical Physics, 326. 611-619 doi:10.1016/j.chemphys.2006.03.027
Fišer, J., Polák, R. (2013) The ZnO2+ dication in the gas phase. Chemical Physics Letters, 558. 8-14 doi:10.1016/j.cplett.2012.09.059
Polák, R, Fišer, J (2004) A comparative icMRCI study of some NO+, NO and NO− electronic ground state properties. Chemical Physics, 303. 73-83 doi:10.1016/j.chemphys.2004.04.027
Polák, R, Fišer, J (2003) On the behavior of the low-lying 2Σ+ electronic states of NO. Chemical Physics Letters, 377. 564-570 doi:10.1016/s0009-2614(03)01179-5
Polák, R., Fišer, J. (2002) Multireference CI calculation of nuclear quadrupole coupling constants of CN+ and CN−: rovibrational dependence. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 58 (9) 2029-2041 doi:10.1016/s1386-1425(01)00653-9
Fišer, J., Vojtík, J. (1994) Rovibrational dependence of the ab initio nuclear quadrupole coupling constants in the X3Σ− state of NH. Chemical Physics, 182. 217-223 doi:10.1016/0301-0104(94)00042-5
 
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