C. Giribet

发表

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.

C. Giribet, M. C. Ruiz de Azúa, 2017, The journal of physical chemistry. A.

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

C. Giribet, M. C. Ruiz de Azúa, 2012, The journal of physical chemistry. A.

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.

P. Provasi, J. I. Melo, G. Aucar, 2004, The Journal of chemical physics.

Orbital contributions to relativistic corrections of the NMR nuclear magnetic shielding tensor originated in scalar field-dependent operators

J. I. Melo, C. Giribet, M. C. Ruiz de Azúa, 2003 .

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

J. I. Melo, D. Zaccari, C. Giribet, 2009, The Journal of chemical physics.

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

G. Aucar, S. Gomez, C. Giribet, 2016, Physical chemistry chemical physics : PCCP.

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

J. I. Melo, D. Zaccari, C. Giribet, 2006, The Journal of chemical physics.

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

P. Roura, J. I. Melo, C. Giribet, 2006, The Journal of chemical physics.

Viewpoint 8 — polarization propagator analysis of spin-spin coupling constants

G. Aucar, R. H. Contreras, C. Giribet, 1993 .

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

S. Gomez, C. Giribet, M. C. Ruiz de Azúa, 2012, The Journal of chemical physics.

AB INITIO 'CLOPPA' DECOMPOSITION OF THE STATIC MOLECULAR POLARIZABILITY TENSOR

R. H. Contreras, C. Giribet, M. Azúa, 1997 .

Ab initio and experimental study of NMR coupling constants in bicyclo[1.1.1]pentane

I. J. Lochert, M. Malagoli, P. Lazzeretti, 1995 .

Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants

C. Cavasotto, L. Krivdin, G. Aucar, 1990 .

Analysis of the phosphorus lone-pair orientational effect on 31P13C couplings in 7-(phosphamethyl)norbornene

G. Aucar, R. H. Contreras, C. Giribet, 1988 .

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

S. Gomez, C. Giribet, M. C. Ruiz de Azúa, 2013, The Journal of chemical physics.

Advances in theoretical and physical aspects of spin-spin coupling constants

J. Facelli, J. Peralta, R. H. Contreras, 1993 .

The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin–spin coupling constants. III—an INDO study of long‐range FH couplings in fluorinated derivatives of toluene

Julio C. Facelli, Rubén H. Contreras, J. Facelli, 1982 .

2J(SeSe) couplings in diseleno-substituted alkenylic compounds. A CLOPPA-IPPP analysis

C. Cavasotto, R. H. Contreras, C. Giribet, 1990 .

Exo‐exo and endo‐endo vicinal proton spin‐spin coupling constants in norbornane and norbornene. An IPPP‐CLOPPA analysis

C. Cavasotto, R. H. Contreras, C. Giribet, 1991 .

Theoretical IPPP analysis of 13C‐31 P through‐space indirect couplings in phosphorus‐substituted alkenes

G. Aucar, R. H. Contreras, C. Giribet, 1987 .

Analysis of multipath transmission of spin-spin coupling constants in 1-X-bicycloalkanes: Part I. The through-space transmission via the bridgehead carbon atoms

M. Ferraro, G. Aucar, R. H. Contreras, 1990 .

Analysis of multipath transmission of spin-spin coupling constants in 1-x-bicycloalkanes: Part II. Additivity of coupling pathways

G. Aucar, R. H. Contreras, C. Giribet, 1990 .

Theoretical and experimental study of the orientational nitrogen lone-pair effect on 1J(13C13C) couplings in acetoxime

V. V. Shcherbakov, L. Krivdin, G. Kalabin, 1989 .

Polarization propagator analysis of the through space transmission of spin—spin coupling constants by overlap of lone pairs

G. Aucar, R. H. Contreras, S. Gomez, 1993 .

A polarization propagator analysis of through‐space spin‐spin coupling constants: 19F‐19F couplings

I. Rae, R. H. Contreras, C. Giribet, 1986 .

Polarization propagator theory and the entanglement between MO excitations.

G. Aucar, C. Giribet, Leonardo A Millán, 2018, Physical chemistry chemical physics : PCCP.

Electronic Mechanisms of Intra and Intermolecular J Couplings in Systems with C-H···O Interactions

C. Cavasotto, C. Giribet, M. Azúa, 2003 .

Through-Space Transmission of 19F-13C Coupling Via an Intermediate Bond. An Experimental and Theoretical Study

A. Staffa, I. Rae, R. H. Contreras, 1987 .

Experimental and Theoretical-Study of Carbon-Fluorine Couplings in the NMR-Spectra of 2-Fluoroaryl Ketones

M. Natiello, I. Rae, R. H. Contreras, 1985 .

The use of localized molecular orbitals and the polarization propagator to identify transmission mechanisms in nuclear spin‐spin couplings

R. H. Contreras, C. Giribet, A. Diz, 1990 .

Analysis of unusual 13C77Se couplings in the 13C NMR spectra of selenoimidates

R. H. Contreras, C. Giribet, M. de Azúa, 1986 .

A theoretical study of medium effects on the transmission mechanisms of the fermi contact term of spin–spin coupling constants in the acetamide molecule

J. Facelli, R. H. Contreras, C. Giribet, 1984 .

Theoretical study of the relativistic molecular rotational g-tensor.

S. Gomez, C. Giribet, M. C. Ruiz de Azúa, 2014, The Journal of chemical physics.

On the quantum origin of few response properties.

G. Aucar, C. Giribet, Leonardo A Millán, 2020, The Journal of chemical physics.

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

G. Aucar, S. Gomez, C. Giribet, 2016, The journal of physical chemistry letters.

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

D. Zaccari, C. Giribet, M. Azúa, 2007 .

Relativistic effects on the nuclear magnetic shielding tensor

J. I. Melo, G. Aucar, R. Romero, 2003 .

Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs

M. Malagoli, P. Lazzeretti, J. Dannenberg, 1994 .

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

J. I. Melo, C. Giribet, M. C. Ruiz de Azúa, 2011, The Journal of chemical physics.

Ab initio IPPP-CLOPPA approach to perform bond contribution analysis of NMR coupling constants: 1J(NH) in NH3 as a function of pyramidality

C. Giribet, M. Azúa, C. Vizioli, 1998 .

Expansion of atomic orbital products in terms of a complete function set

F. S. Ortiz, J. E. Pérez, H. Cuenya, 1994 .