Gustavo Aucar - Dissemin

Papers authored by Gustavo Aucar

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2005 Sergio S. Gómez, Juan I. Melo, Rodolfo H. Romero, Gustavo A. Aucar

, Martín Ruiz de Azúa

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

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Sergio S. Gomez, Alejandro Maldonado, Gustavo A. Aucar

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

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2004 J. I. Melo, M. C. Ruiz de Azua, C. G. Giribet, G. A. Aucar

, 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

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Patricio F. Provasi, Carlos A. Gómez, Gustavo A. Aucar

Hyperconjugation: The Electronic Mechanism That May Underlie the Karplus Curve of Vicinal NMR Indirect Spin Couplings

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Patricio F. Provasi, Gustavo A. Aucar

, Stephan P. A. Sauer

Large Long-Range F−F Indirect Spin−Spin Coupling Constants. Prediction of Measurable F−F Couplings over a Few Nanometers

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2003 Patricio F. Provasi, {Patricio F.} Provasi, {Stephan P. A.} Sauer, Gustavo A. Aucar

, {Gustavo A.} Aucar, Stephan P. A. Sauer

The Effect of Substituents on Indirect Nuclear Spin-Spin Coupling Constants: Methan- and Ethanimine, Methanal- and Ethanaloxime

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Sergio S. Gómez, Rodolfo H. Romero, Gustavo A. Aucar

Relativistic mass-corrections to the heavy atom nuclear magnetic shieldings. Analysis of contributions in terms of localized orbitals

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J. I. Melo, M. C. Ruiz de Azua, C. G. Giribet, G. A. Aucar

, R. H. Romero

Relativistic effects on the nuclear magnetic shielding tensor

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C. A. Gómez, P. F. Provasi, G. A. Aucar

Propagator matrices as matrices of power's series. II. It's relationship with HF's stability problem and alternative solutions

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P. F. Provasi, G. A. Aucar

, S. P. A. Sauer

The effect of substituents on indirect nuclear spin-spin couplingconstants: Methan- and ethanimine, methanal- and ethanaloxime

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2002 Rodolfo H. Romero, Gustavo A. Aucar

Self-energy Effects on Nuclear Magnetic Resonance Parameters within Quantum Electrodynamics Perturbation Theory

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Rodolfo H. Romero, Gustavo A. Aucar

QED approach to the nuclear spin-spin coupling tensor

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C. A. Gómez, P. F. Provasi, G. A. Aucar

Propagator matrices as matrices of power's series. I. Its zeroth-order and the Pople–Santry model

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Sergio S. Gomez, Rodolfo H. Romero, Gustavo A. Aucar

Fully relativistic calculation of nuclear magnetic shieldings and indirect nuclear spin-spin couplings in group-15 and -16 hydrides

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2001 Patricio F. Provasi, Gustavo A. Aucar

, Stephan P. A. Sauer

The effect of lone pairs and electronegativity on the indirect nuclear spin–spin coupling constants in CH2X (X=CH2, NH, O, S):Ab initiocalculations using optimized contracted basis sets

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2000 Edith L. Botek, Gustavo A. Aucar

, Marshall G. Cory, Michael C. Zerner

Implementation of the IPPP–CLOPPA–INDO/S method for the study of indirect nuclear spin coupling constants and its application to molecules containing tin nuclei

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Patricio F. Provasi, Gustavo A. Aucar

, Stephan P. A. Sauer

The use of locally dense basis sets in the calculation of indirect nuclear spin-spin coupling constants: The vicinal coupling constants in H3C-CH2X (X=H, F, Cl, Br, I)

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1999 R. H. Romero, G. A. Aucar

Reply to “Comment on ‘Relativistic correction of the generalized oscillator strength sum rules’ ”

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T. Saue, Ga A. Aucar

, L. Visscher, Hja J. A.-A. Jensen

On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties

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1998 R. M. Lobayan, G. A. Aucar

NMR-K reduced coupling constants within the CLOPPA-PM3 approach. II: shortcomings and how to overcome them

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Papers authored by Gustavo Aucar