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Journal Abstract Search

495 related items for PubMed ID: 15291614

  • 1. Electric field effects on the shielding constants of noble gases: a four-component relativistic Hartree-Fock study.
    Pecul M, Saue T, Ruud K, Rizzo A.
    J Chem Phys; 2004 Aug 15; 121(7):3051-7. PubMed ID: 15291614
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  • 2. Relativistic heavy-atom effects on heavy-atom nuclear shieldings.
    Lantto P, Romero RH, Gómez SS, Aucar GA, Vaara J.
    J Chem Phys; 2006 Nov 14; 125(18):184113. PubMed ID: 17115744
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  • 3. Leading-order relativistic effects on nuclear magnetic resonance shielding tensors.
    Manninen P, Ruud K, Lantto P, Vaara J.
    J Chem Phys; 2005 Mar 15; 122(11):114107. PubMed ID: 15836201
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  • 5. Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.
    Straka M, Lantto P, Räsänen M, Vaara J.
    J Chem Phys; 2007 Dec 21; 127(23):234314. PubMed ID: 18154389
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  • 7. Calculations of nuclear quadrupole coupling in noble gas-noble metal fluorides: interplay of relativistic and electron correlation effects.
    Lantto P, Vaara J.
    J Chem Phys; 2006 Nov 07; 125(17):174315. PubMed ID: 17100447
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  • 10. Relativistic effects on nuclear magnetic shielding constants in HX and CH3X (X=Br,I) based on the linear response within the elimination of small component approach.
    Melo JI, Ruiz de Azua MC, Giribet CG, Aucar GA, Provasi PF.
    J Chem Phys; 2004 Oct 08; 121(14):6798-808. PubMed ID: 15473737
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  • 12. Calculation of binary magnetic properties and potential energy curve in xenon dimer: second virial coefficient of (129)Xe nuclear shielding.
    Hanni M, Lantto P, Runeberg N, Jokisaari J, Vaara J.
    J Chem Phys; 2004 Sep 22; 121(12):5908-19. PubMed ID: 15367019
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  • 13. (129)Xe chemical shift by the perturbational relativistic method: xenon fluorides.
    Lantto P, Vaara J.
    J Chem Phys; 2007 Aug 28; 127(8):084312. PubMed ID: 17764253
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  • 14. The one-particle Green's function method in the Dirac-Hartree-Fock framework. I. Second-order valence ionization energies of Ne through Xe.
    Pernpointner M, Trofimov AB.
    J Chem Phys; 2004 Mar 01; 120(9):4098-106. PubMed ID: 15268576
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  • 15. Carbon and proton shielding tensors in methyl halides.
    Kantola AM, Lantto P, Vaara J, Jokisaari J.
    Phys Chem Chem Phys; 2010 Mar 20; 12(11):2679-92. PubMed ID: 20200746
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  • 16. Performance of nonrelativistic and quasi-relativistic hybrid DFT for the prediction of electric and magnetic hyperfine parameters in 57Fe Mössbauer spectra.
    Sinnecker S, Slep LD, Bill E, Neese F.
    Inorg Chem; 2005 Apr 04; 44(7):2245-54. PubMed ID: 15792459
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  • 18. Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers.
    Jankowska M, Kupka T, Stobiński L, Faber R, Lacerda EG, Sauer SP.
    J Comput Chem; 2016 Feb 05; 37(4):395-403. PubMed ID: 26503739
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  • 20. A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanides.
    Wodyński A, Repiský M, Pecul M.
    J Chem Phys; 2012 Jul 07; 137(1):014311. PubMed ID: 22779652
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