558 related articles for article (PubMed ID: 23574208)
1. Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei. II. Quantitative results in HX (X = H,F,Cl,Br,I) compounds.
Aucar IA; Gómez SS; Melo JI; Giribet CC; Ruiz de Azúa MC
J Chem Phys; 2013 Apr; 138(13):134107. PubMed ID: 23574208
[TBL] [Abstract][Full Text] [Related]
2. Breit interaction effects in relativistic theory of the nuclear spin-rotation tensor.
Aucar IA; Gómez SS; Giribet CG; Ruiz de Azúa MC
J Chem Phys; 2013 Sep; 139(9):094112. PubMed ID: 24028107
[TBL] [Abstract][Full Text] [Related]
3. Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei.
Aucar IA; Gómez SS; Ruiz de Azúa MC; Giribet CG
J Chem Phys; 2012 May; 136(20):204119. PubMed ID: 22667552
[TBL] [Abstract][Full Text] [Related]
4. 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; 121(14):6798-808. PubMed ID: 15473737
[TBL] [Abstract][Full Text] [Related]
5. Theoretical study of the relativistic molecular rotational g-tensor.
Aucar IA; Gomez SS; Giribet CG; Ruiz de Azúa MC
J Chem Phys; 2014 Nov; 141(19):194103. PubMed ID: 25416870
[TBL] [Abstract][Full Text] [Related]
6. Carbon and proton shielding tensors in methyl halides.
Kantola AM; Lantto P; Vaara J; Jokisaari J
Phys Chem Chem Phys; 2010 Mar; 12(11):2679-92. PubMed ID: 20200746
[TBL] [Abstract][Full Text] [Related]
7. Toward an absolute NMR shielding scale using the spin-rotation tensor within a relativistic framework.
Aucar IA; Gomez SS; Giribet CG; Aucar GA
Phys Chem Chem Phys; 2016 Aug; 18(34):23572-86. PubMed ID: 27506822
[TBL] [Abstract][Full Text] [Related]
8. Relativistic effects on nuclear magnetic shieldings of CH(n)X(4-n) and CHXYZ (X, Y, Z = H, F, Cl, Br, I).
Melo JI; Maldonado AF; Aucar GA
J Chem Phys; 2012 Dec; 137(21):214319. PubMed ID: 23231243
[TBL] [Abstract][Full Text] [Related]
9. Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory.
Stopkowicz S; Gauss J
J Chem Phys; 2011 May; 134(20):204106. PubMed ID: 21639423
[TBL] [Abstract][Full Text] [Related]
10. Leading-order relativistic effects on nuclear magnetic resonance shielding tensors.
Manninen P; Ruud K; Lantto P; Vaara J
J Chem Phys; 2005 Mar; 122(11):114107. PubMed ID: 15836201
[TBL] [Abstract][Full Text] [Related]
11. Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I).
Demissie TB; Jaszuński M; Komorovsky S; Repisky M; Ruud K
J Chem Phys; 2015 Oct; 143(16):164311. PubMed ID: 26520517
[TBL] [Abstract][Full Text] [Related]
12. A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis.
Olejniczak M; Bast R; Saue T; Pecul M
J Chem Phys; 2012 Jan; 136(1):014108. PubMed ID: 22239770
[TBL] [Abstract][Full Text] [Related]
13. Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides.
Komorovsky S; Repisky M; Malkin E; Demissie TB; Ruud K
J Chem Theory Comput; 2015 Aug; 11(8):3729-39. PubMed ID: 26574455
[TBL] [Abstract][Full Text] [Related]
14. A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equation.
Komorovský S; Repiský M; Malkina OL; Malkin VG; Malkin Ondík I; Kaupp M
J Chem Phys; 2008 Mar; 128(10):104101. PubMed ID: 18345871
[TBL] [Abstract][Full Text] [Related]
15. Formal relations connecting different approaches to calculate relativistic effects on molecular magnetic properties.
Zaccari DG; Ruiz de Azúa MC; Melo JI; Giribet CG
J Chem Phys; 2006 Feb; 124(5):054103. PubMed ID: 16468847
[TBL] [Abstract][Full Text] [Related]
16. An NMR and relativistic DFT investigation of one-bond nuclear spin-spin coupling in solid triphenyl group-14 chlorides.
Willans MJ; Demko BA; Wasylishen RE
Phys Chem Chem Phys; 2006 Jun; 8(23):2733-43. PubMed ID: 16763706
[TBL] [Abstract][Full Text] [Related]
17. Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: a comparison of three relativistic computational methods.
Arcisauskaite V; Melo JI; Hemmingsen L; Sauer SP
J Chem Phys; 2011 Jul; 135(4):044306. PubMed ID: 21806118
[TBL] [Abstract][Full Text] [Related]
18. Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems.
Gómez SS; Aucar GA
J Chem Phys; 2011 May; 134(20):204314. PubMed ID: 21639447
[TBL] [Abstract][Full Text] [Related]
19. New Experimental NMR Shielding Scales Mapped Relativistically from NSR: Theory and Application.
Xiao Y; Zhang Y; Liu W
J Chem Theory Comput; 2014 Feb; 10(2):600-8. PubMed ID: 26580036
[TBL] [Abstract][Full Text] [Related]
20. Molecular orbital analysis of the inverse halogen dependence of nuclear magnetic shielding in LaX₃, X = F, Cl, Br, I.
Moncho S; Autschbach J
Magn Reson Chem; 2010 Dec; 48 Suppl 1():S76-85. PubMed ID: 20586110
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]