MILLÁN, LEONARDO A.; GIRIBET, CLAUDIA G.; AUCAR, GUSTAVO A.

On the quantum origin of few response properties

The Journal of chemical physics; Año: 2020 vol. 153

MILLÁN, LEONARDO A.; GIRIBET, CLAUDIA G.; AUCAR, GUSTAVO A.

Polarization propagator theory and the entanglement between MO excitations

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2018 vol. 20 p. 24832 - 24842

GIRIBET, CLAUDIA G.; RUIZ DE AZÚA, MARTÍN C.

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

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2017 vol. 121 p. 2960 - 2970

I. A. AUCAR,; S. S. GÓMEZ; C. G. GIRIBET; G.A. AUCAR

Role of Spin-Dependent Terms in the Relationship among Nuclear Spin-Rotation and NMR Magnetic Shielding Tensors

The Journal of Physical Chemical Letters; Lugar: Washington; Año: 2016 vol. 7 p. 5188 - 5192

I. A. AUCAR,; S. S. GÓMEZ; C. G. GIRIBET; G. A. AUCAR

Toward an absolute NMR shielding scale using the spin-rotation tensor within a relativistic framework

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2016 vol. 18 p. 23572 - 23586

I. A. AUCAR,; S. S. GÓMEZ; C. G. GIRIBET; M. C. RUIZ DE AZÚA

Theoretical study of the relativistic molecular rotational g-tensor

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2014 vol. 141 p. 194103 - 194115

I. A. AUCAR; S. S. GÓMEZ; J. I. MELO; C. G. GIRIBET; M. C. RUIZ DE AZÚA

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2013 vol. 138 p. 134107 - 134116

I. A. AUCAR; S. S. GÓMEZ; C. G. GIRIBET; M. C. RUIZ DE AZÚA

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2013 vol. 139 p. 94112 - 94118

I. A. AUCAR; S. S. GÓMEZ; M. C. RUIZ DE AZÚA; C. G. GIRIBET

Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2012 vol. 136 p. 204119 - 204130

C. G. GIRIBET; M. C. RUIZ DE AZÚA

CLOPPA Analysis of the Molecular Polarizability and the Energy of Strong Intramolecular Hydrogen Bonds: Resonance Assisted?

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2012 vol. 116 p. 12175 - 12183

MARTÍN C. RUIZ DE AZÚA; CLAUDIA G. GIRIBET; JUAN I. MELO

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2011 vol. 134 p. 34123 - 34129

CLAUDIA G. GIRIBET; MARTÍN C. RUIZ DE AZÚA

CLOPPA-IPPP analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor.

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2010 vol. 114 p. 1109 - 1117

CLAUDIA G. GIRIBET; MARTÍN C. RUIZ DE AZÚA

CLOPPA-IPPP analysis of cooperative effects in H-bonded molecular complexes. 2. Application to the static molecular polarizability tensor.

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2009 vol. 114 p. 1109 - 1117

D. G. ZACCARI; J. I. MELO; M. C. RUIZ DE AZÚA; C. G. GIRIBET

Relativistic two-component geometric approximation of the electron-positron contribution to magnetic properties in terms of Breit-Pauli spinors.

JOURNAL OF CHEMICAL PHYSICS; Año: 2009 vol. 130 p. 84102 - 84111

CLAUDIA G. GIRIBET; MARTÍN C. RUIZ DE AZÚA

CLOPPA-IPPP analysis of cooperative effects in H-bonded molecular complexes. Application to intermolecular 2hJ(N,C) spin-spin coupling constants in linear (CNH)n complexes

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2008 vol. 112 p. 4386 - 4393

EDITH L. BOTEK; CLAUDIA G. GIRIBET; MARTÍN. C. RUIZ DE AZÚA; RICARDO M. NEGRI; DELIA BERNIK

Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest.

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2008 vol. 112 p. 6992 - 6998

DANIEL G. ZACCARI; MARTÍN C. RUIZ DE AZÚA; CLAUDIA G. GIRIBET

Analysis of singular operators in the relativistic calculation of magnetic molecular properties

PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Año: 2007 vol. 76 p. 22105 - 22117

DANIEL G. ZACCARI; MARTÍN C. RUIZ DE AZÚA; JUAN I. MELO; CLAUDIA G. GIRIBET

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

JOURNAL OF CHEMICAL PHYSICS; Año: 2006 vol. 124 p. 54103 - 54116

PABLO G. ROURA; JUAN I. MELO; MARTÍN C. RUIZ DE AZÚA; CLAUDIA G. GIRIBET

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

JOURNAL OF CHEMICAL PHYSICS; Año: 2006 vol. 125 p. 64107 - 64117

CLAUDIA G. GIRIBET; MARTÍN C. RUIZ DE AZÚA

The sign and magnitude of 2hJ(F,F) and 1hJ(F,H) in FH...FH. A CLOPPA analysis of their distance dependence.

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2006 vol. 110 p. 11575 - 11583

D. G. ZACCARI, M. C. RUIZ DE AZÚA, J. I. MELO Y C. G. GIRIBET

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2005 vol. 124

C. G. GIRIBET Y M. C. RUIZ DE AZÚA

CLOPPA-IPPP analysis of electronic mechanisms of intermolecular 1hJ(A,H) and 2hJ(A,D) spin-spin coupling constants in systems with D-H...A hydrogen bonds

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2005 vol. 109 p. 11980 - 11988

J. I. MELO, M. C. RUIZ DE AZÚA, C. G. GIRIBET, G. A. AUCAR Y P. F. PROVASI

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2004 vol. 121 p. 6798 - 6808