Ruiz de Azua MC - Search Results

1

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: ruiz de azua mc. J Chem Phys. 2004 Oct 8;121(14):6798-808. doi: 10.1063/1.1787495. J Chem Phys. 2004. PMID: 15473737

2

NMR nuclear magnetic shielding anisotropy of linear molecules within the linear response within the elimination of the small component approach.

Ruiz de Azúa M, Giribet CG, Melo JI. Ruiz de Azúa M, et al. J Chem Phys. 2011 Jan 21;134(3):034123. doi: 10.1063/1.3528717. J Chem Phys. 2011. PMID: 21261346

3

Formal relations connecting different approaches to calculate relativistic effects on molecular magnetic properties.

Zaccari DG, Ruiz de Azúa MC, Melo JI, Giribet CG. Zaccari DG, et al. Among authors: ruiz de azua mc. J Chem Phys. 2006 Feb 7;124(5):054103. doi: 10.1063/1.2162541. J Chem Phys. 2006. PMID: 16468847

4

Mean field linear response within the elimination of the small component formalism to evaluate relativistic effects on magnetic properties.

Roura PG, Melo JI, Ruiz de Azúa MC, Giribet CG. Roura PG, et al. Among authors: ruiz de azua mc. J Chem Phys. 2006 Aug 14;125(6):64107. doi: 10.1063/1.2244572. J Chem Phys. 2006. PMID: 16942273

5

IPPP-CLOPPA Analysis of the Influence of the Methylation on the Potential Energy and the Molecular Polarizability of the Hydrogen Bonds in the Cytosine-Guanine Base Pair.

Giribet CG, Ruiz de Azúa MC. Giribet CG, et al. Among authors: ruiz de azua mc. J Phys Chem A. 2017 Apr 20;121(15):2960-2970. doi: 10.1021/acs.jpca.6b10059. Epub 2017 Apr 5. J Phys Chem A. 2017. PMID: 28350166

6

Theoretical study of the relativistic molecular rotational g-tensor.

Aucar IA, Gomez SS, Giribet CG, Ruiz de Azúa MC. Aucar IA, et al. Among authors: ruiz de azua mc. J Chem Phys. 2014 Nov 21;141(19):194103. doi: 10.1063/1.4901422. J Chem Phys. 2014. PMID: 25416870

7

Breit interaction effects in relativistic theory of the nuclear spin-rotation tensor.

Aucar IA, Gómez SS, Giribet CG, Ruiz de Azúa MC. Aucar IA, et al. Among authors: ruiz de azua mc. J Chem Phys. 2013 Sep 7;139(9):094112. doi: 10.1063/1.4819958. J Chem Phys. 2013. PMID: 24028107

8

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. Aucar IA, et al. Among authors: ruiz de azua mc. J Chem Phys. 2013 Apr 7;138(13):134107. doi: 10.1063/1.4796461. J Chem Phys. 2013. PMID: 23574208 Free article.

9

CLOPPA analysis of the molecular polarizability and the energy of strong intramolecular hydrogen bonds: resonance assisted?

Giribet CG, Ruiz de Azúa MC. Giribet CG, et al. Among authors: ruiz de azua mc. J Phys Chem A. 2012 Dec 13;116(49):12175-83. doi: 10.1021/jp309612a. Epub 2012 Nov 30. J Phys Chem A. 2012. PMID: 23157564

10

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. Aucar IA, et al. Among authors: ruiz de azua mc. J Chem Phys. 2012 May 28;136(20):204119. doi: 10.1063/1.4721627. J Chem Phys. 2012. PMID: 22667552 Free article.

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