Aucar GA - Search Results

1

Relativistic corrections to the diamagnetic term of the nuclear magnetic shielding: analysis of contributions from localized orbitals.

Gómez SS, Melo JI, Romero RH, Aucar GA, de Azúa MR. Gómez SS, et al. Among authors: aucar ga. J Chem Phys. 2005 Feb 8;122(6):064103. doi: 10.1063/1.1845391. J Chem Phys. 2005. PMID: 15740363

2

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. Melo JI, et al. Among authors: aucar ga. J Chem Phys. 2004 Oct 8;121(14):6798-808. doi: 10.1063/1.1787495. J Chem Phys. 2004. PMID: 15473737

3

Relativistic effects on the nuclear magnetic shieldings of rare-gas atoms and halogen in hydrogen halides within relativistic polarization propagator theory.

Gomez SS, Maldonado A, Aucar GA. Gomez SS, et al. Among authors: aucar ga. J Chem Phys. 2005 Dec 1;123(21):214108. doi: 10.1063/1.2133729. J Chem Phys. 2005. PMID: 16356040

4

Relativistic heavy-atom effects on heavy-atom nuclear shieldings.

Lantto P, Romero RH, Gómez SS, Aucar GA, Vaara J. Lantto P, et al. Among authors: aucar ga. J Chem Phys. 2006 Nov 14;125(18):184113. doi: 10.1063/1.2378737. J Chem Phys. 2006. PMID: 17115744

5

The appearance of an interval of energies that contain the whole diamagnetic contribution to NMR magnetic shieldings.

Maldonado A, Aucar GA. Maldonado A, et al. Among authors: aucar ga. J Chem Phys. 2007 Oct 21;127(15):154115. doi: 10.1063/1.2787003. J Chem Phys. 2007. PMID: 17949140

6

The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms.

Maldonado AF, Aucar GA. Maldonado AF, et al. Among authors: aucar ga. Phys Chem Chem Phys. 2009 Jul 21;11(27):5615-27. doi: 10.1039/b820609k. Phys Chem Chem Phys. 2009. PMID: 19842479

7

Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems.

Gómez SS, Aucar GA. Gómez SS, et al. Among authors: aucar ga. J Chem Phys. 2011 May 28;134(20):204314. doi: 10.1063/1.3587051. J Chem Phys. 2011. PMID: 21639447

8

Relativistic effects on group-12 metal nuclear shieldings.

Roukala J, Maldonado AF, Vaara J, Aucar GA, Lantto P. Roukala J, et al. Among authors: aucar ga. Phys Chem Chem Phys. 2011 Dec 21;13(47):21016-25. doi: 10.1039/c1cp22043h. Epub 2011 Oct 20. Phys Chem Chem Phys. 2011. PMID: 22012267

9

The analysis of NMR J-couplings of saturated and unsaturated compounds by the localized second order polarization propagator approach method.

Zarycz N, Aucar GA. Zarycz N, et al. Among authors: aucar ga. J Chem Phys. 2012 May 7;136(17):174115. doi: 10.1063/1.3697844. J Chem Phys. 2012. PMID: 22583218

10

Nuclear charge-distribution effects on the NMR spectroscopy parameters.

Maldonado AF, Giménez CA, Aucar GA. Maldonado AF, et al. Among authors: aucar ga. J Chem Phys. 2012 Jun 14;136(22):224110. doi: 10.1063/1.4729253. J Chem Phys. 2012. PMID: 22713039

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