Crossref Cited-by Linking logo

Collect. Czech. Chem. Commun. 2007, 72, 64-82
https://doi.org/10.1135/cccc20070064

The Nuclear Quadrupole Moment of 14N from Accurate Electric Field Gradient Calculations and Microwave Spectra of NP Molecule

Vladimir Kellöa,* and Andrzej J. Sadlejb

a Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Mlynská dolina, SK-842 15 Bratislava, Slovakia
b Department of Quantum Chemistry, Institute of Chemistry, Nicolaus Copernicus University, PL-87 100 Torun, Poland

Crossref Cited-by Linking

  • Errico Leonardo, Lejaeghere Kurt, Runco Jorge, Mishra S. N., Rentería Mario, Cottenier Stefaan: Precision of Electric-Field Gradient Predictions by Density Functional Theory and Implications for the Nuclear Quadrupole Moment and Its Error Bar of the 111Cd 245 keV 5/2+ Level. J. Phys. Chem. C 2016, 120, 23111. <https://doi.org/10.1021/acs.jpcc.6b06127>
  • Harbison Gerard S.: Polarization of core orbitals and computation of nuclear quadrupole coupling constants using Gaussian basis sets. Journal of Magnetic Resonance 2015, 257, 24. <https://doi.org/10.1016/j.jmr.2015.05.002>
  • Brzyska Agnieszka, Woliński Krzysztof, Jaszuński Michał: Theoretical studies of the dependence of nuclear quadrupole coupling constants on intermolecular forces. COMPUT THEOR CHEM 2012, 983, 54. <https://doi.org/10.1016/j.comptc.2011.12.022>
  • Polák R., Fišer J.: Theoretical study of electric field gradients at nitrogen nuclei in HNO, CH3NO and C2H3NO. Chemical Phys 2010, 375, 85. <https://doi.org/10.1016/j.chemphys.2010.07.026>
  • Demovič Lukáš, Kellö Vladimir, Sadlej Andrzej J.: The quadrupole moment of the As nucleus from molecular microwave data and calculated relativistic electric field gradients. Chemical Physics Letters 2010, 498, 10. <https://doi.org/10.1016/j.cplett.2010.08.040>
  • Koch Katrin, Koepernik Klaus, Neck Dimitri Van, Rosner Helge, Cottenier Stefaan: Electron penetration into the nucleus and its effect on the quadrupole interaction. Phys. Rev. A 2010, 81. <https://doi.org/10.1103/PhysRevA.81.032507>
  • Iliaš Miroslav, Kellö Vladimír, Urban Miroslav: Relativistic effects in atomic and molecular properties. Acta Physica Slovaca Reviews and Tutorials 2010, 60, 259. <https://doi.org/10.2478/v10155-010-0003-1>
  • Francis S. G., Harvey J. N., Walker N. R., Legon A. C.: An investigation of the molecular geometry and electronic structure of nitryl chloride by a combination of rotational spectroscopy and ab initio calculations. The Journal of Chemical Physics 2008, 128. <https://doi.org/10.1063/1.2920487>
  • Pyykkö Pekka: Year-2008 nuclear quadrupole moments. Molec Phys 2008, 106, 1965. <https://doi.org/10.1080/00268970802018367>