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Bast, Radovan, Jusélius, Jonas, Saue, Trond (2009) 4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds. Chemical Physics, 356. 187-194 doi:10.1016/j.chemphys.2008.10.040

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Reference TypeJournal (article/letter/editorial)
Title4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds
JournalChemical Physics
AuthorsBast, RadovanAuthor
Jusélius, JonasAuthor
Saue, TrondAuthor
Year2009 (February)Volume356
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2008.10.040Search in ResearchGate
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Mindat Ref. ID5961899Long-form Identifiermindat:1:5:5961899:9
GUID0
Full ReferenceBast, Radovan, Jusélius, Jonas, Saue, Trond (2009) 4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds. Chemical Physics, 356. 187-194 doi:10.1016/j.chemphys.2008.10.040
Plain TextBast, Radovan, Jusélius, Jonas, Saue, Trond (2009) 4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds. Chemical Physics, 356. 187-194 doi:10.1016/j.chemphys.2008.10.040
In(n.d.) Chemical Physics Vol. 356. Elsevier BV

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Sulzer, David, Olejniczak, Małgorzata, Bast, Radovan, Saue, Trond (2011) 4-Component relativistic magnetically induced current density using London atomic orbitals. Physical Chemistry Chemical Physics, 13 (46). 20682pp. doi:10.1039/c1cp22457c
Salek, Pawel, Helgaker, Trygve, Saue, Trond (2005) Linear response at the 4-component relativistic density-functional level: application to the frequency-dependent dipole polarizability of Hg, AuH and PtH2. Chemical Physics, 311. 187-201 doi:10.1016/j.chemphys.2004.10.011
Bast, Radovan, Schwerdtfeger, Peter, Saue, Trond (2006) Parity nonconservation contribution to the nuclear magnetic resonance shielding constants of chiral molecules: A four-component relativistic study. The Journal of Chemical Physics, 125 (6). 64504pp. doi:10.1063/1.2218333
Iliaš, Miroslav, Jensen, Hans Jørgen Aa., Bast, Radovan, Saue, Trond (2013) Gauge origin independent calculations of molecular magnetisabilities in relativistic four-component theory. Molecular Physics, 111. 1373-1381 doi:10.1080/00268976.2013.798436
Bast, Radovan, Saue, Trond, Henriksson, Johan, Norman, Patrick (2009) Role of noncollinear magnetization for the first-order electric-dipole hyperpolarizability at the four-component Kohn–Sham density functional theory level. The Journal of Chemical Physics, 130 (2). 24109pp. doi:10.1063/1.3054302
Olejniczak, Małgorzata, Bast, Radovan, Saue, Trond, Pecul, Magdalena (2012) A simple scheme for magnetic balance in four-component relativistic Kohn–Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis. The Journal of Chemical Physics, 136 (1). 14108pp. doi:10.1063/1.3671390
Bast, Radovan, Thorvaldsen, Andreas J., Ringholm, Magnus, Ruud, Kenneth (2009) Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models. Chemical Physics, 356. 177-186 doi:10.1016/j.chemphys.2008.10.033
Weijo, Ville, Bast, Radovan, Manninen, Pekka, Saue, Trond, Vaara, Juha (2007) Methodological aspects in the calculation of parity-violating effects in nuclear magnetic resonance parameters. The Journal of Chemical Physics, 126 (7). 74107pp. doi:10.1063/1.2436886
Kullie, Ossama, Saue, Trond (2012) Range-separated density functional theory: A 4-component relativistic study of the rare gas dimers He2, Ne2, Ar2, Kr2, Xe2, Rn2 and Uuo2. Chemical Physics, 395. 54-62 doi:10.1016/j.chemphys.2011.06.024
Di Remigio, Roberto, Bast, Radovan, Frediani, Luca, Saue, Trond (2015) Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation, and Application to the Group 16 Dihydrides H2X (X = O, S, Se, Te, Po). The Journal of Physical Chemistry A, 119 (21). 5061-5077 doi:10.1021/jp507279y
Olejniczak, Małgorzata, Bast, Radovan, Saue, Trond, Pecul, Magdalena (2012) Erratum: “A simple scheme for magnetic balance in four-component relativistic Kohn–Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis” [J. Chem. Phys. 136, 014108 (2012)]. The Journal of Chemical Physics, 136 (23). 239902pp. doi:10.1063/1.4725184
 
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