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IPPP-CLOPPA Analysis of the Hydrogen Bonds of the Adenine-Thymine Base Pair. Is C-H···O the Third Hydrogen Bond?

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-09, Vol.128 (36), p.7568-7580

Giribet, Claudia G

2024

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-12, Vol.116 (49), p.12175-12183

2012

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On the quantum origin of few response properties

The Journal of chemical physics, 2020-12, Vol.153 (22), p.221101-221101

2020

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

The Journal of chemical physics, 2011-01, Vol.134 (3), p.034123-034123-6

2011

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

The Journal of chemical physics, 2012-05, Vol.136 (20), p.204119-204119-11

2012

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Polarization propagator theory and the entanglement between MO excitations

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (38), p.24832-24842

2018

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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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-04, Vol.121 (15), p.2960-2970

2017

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

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (34), p.23572-23586

2016

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

The journal of physical chemistry letters, 2016-12, Vol.7 (24), p.5188-5192

2016

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Theoretical study of the relativistic molecular rotational g-tensor

The Journal of chemical physics, 2014-11, Vol.141 (19), p.194103-194103

2014

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

The Journal of chemical physics, 2013-09, Vol.139 (9), p.094112-094112

2013

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

The Journal of chemical physics, 2009-02, Vol.130 (8), p.084102-084102

2009

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CLOPPA−IPPP Analysis of Cooperative Effects in Hydrogen-Bonded Molecular Complexes. Application to Intermolecular 2 h J(N,C) Spin−Spin Coupling Constants in Linear (CNH) n Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-05, Vol.112 (18), p.4386-4393

2008

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CLOPPA−IPPP Analysis of Cooperative Effects in H-Bonded Molecular Complexes. 2. Application to the Static Molecular Polarizability Tensor

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-01, Vol.114 (2), p.1109-1117

2010

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CLOPPA−IPPP Analysis of Cooperative Effects in Hydrogen-Bonded Molecular Complexes. Application to Intermolecular 2hJ(N,C) Spin−Spin Coupling Constants in Linear (CNH)n Complexes

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-05, Vol.112 (18), p.4386-4393

2008

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The Sign and Magnitude of 2h J(F,F) and 1h J(F,H) in FH···FH. A CLOPPA Analysis of Their Distance Dependence

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-10, Vol.110 (40), p.11575-11583

2006

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CLOPPA-IPPP Analysis of Electronic Mechanisms of Intermolecular 1h J(A,H) and 2h J(A,D) Spin−Spin Coupling Constants in Systems with D−H···A Hydrogen Bonds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (51), p.11980-11988

2005

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

Annual Reports on NMR Spectroscopy, 2000, Vol.41, p.55-184

2000

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The Polarization Propagator Approach as a Tool to Study Electronic Molecular Structures from High-Resolution NMR Parameters

High Resolution NMR Spectroscopy : Understanding Molecules and their Electronic Structures, 2013, Vol.3, p.119-159

2013

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

The Journal of chemical physics, 2009-02, Vol.130 (8), p.084102-084102-9

2009

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The Sign and Magnitude of 2hJ(F,F) and 1hJ(F,H) in FH···FH. A CLOPPA Analysis of Their Distance Dependence

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-10, Vol.110 (40), p.11575-11583

2006

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-10, Vol.110 (40), p.11575-11583

2006

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

Physical review. A, Atomic, molecular, and optical physics, 2007-08, Vol.76 (2), Article 022105

2007

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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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (51), p.11980-11988

2005

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

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2005-12, Vol.109 (51), p.11980-11988

2005

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IPPP-CLOPPA Analysis of the Hydrogen Bonds of the Adenine-Thymine Base Pair. Is C-H···O the Third Hydrogen Bond?

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

On the quantum origin of few response properties

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

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

Polarization propagator theory and the entanglement between MO excitations

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

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

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

Theoretical study of the relativistic molecular rotational g-tensor

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

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

CLOPPA−IPPP Analysis of Cooperative Effects in Hydrogen-Bonded Molecular Complexes. Application to Intermolecular 2 h J(N,C) Spin−Spin Coupling Constants in Linear (CNH) n Complexes

CLOPPA−IPPP Analysis of Cooperative Effects in H-Bonded Molecular Complexes. 2. Application to the Static Molecular Polarizability Tensor

CLOPPA−IPPP Analysis of Cooperative Effects in Hydrogen-Bonded Molecular Complexes. Application to Intermolecular 2hJ(N,C) Spin−Spin Coupling Constants in Linear (CNH)n Complexes

The Sign and Magnitude of 2h J(F,F) and 1h J(F,H) in FH···FH. A CLOPPA Analysis of Their Distance Dependence

CLOPPA-IPPP Analysis of Electronic Mechanisms of Intermolecular 1h J(A,H) and 2h J(A,D) Spin−Spin Coupling Constants in Systems with D−H···A Hydrogen Bonds

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

The Polarization Propagator Approach as a Tool to Study Electronic Molecular Structures from High-Resolution NMR Parameters

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

The Sign and Magnitude of 2hJ(F,F) and 1hJ(F,H) in FH···FH. A CLOPPA Analysis of Their Distance Dependence

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

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

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

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

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