Gustavo Adolfo Aucar

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Stephan P. A. SauerProfessor, Department of Chemistry, University of CopenhagenDirección de correo verificada de kiku.dk
Rodolfo H. RomeroFacultad de Ciencias Exactas (UNNE), Instituto de Modelado e Innovación Tecnológica (CONICET)Dirección de correo verificada de exa.unne.edu.ar
sergio s gomezInstituto de Modelado e Innovación Tecnológica CONICET-UNNEDirección de correo verificada de exa.unne.edu.ar
Juan Ignacio MeloResearcher at ConicetDirección de correo verificada de df.uba.ar
Ignacio Agustín AucarInstitute of Modeling and Technological Innovation (IMIT), CONICET-UNNEDirección de correo verificada de conicet.gov.ar
Karol KoziołNational Centre for Nuclear Research (NCBJ), Otwock; IMIT - CONICET, CorrientesDirección de correo verificada de ncbj.gov.pl
Hans Jørgen Aagaard JensenDepartment of Physics, Chemistry and Pharmacy; University of Southern DenmarkDirección de correo verificada de sdu.dk
Perttu LanttoUniversity Researcher (Associate Professor), NMR Research Unit, University of OuluDirección de correo verificada de oulu.fi
Albeiro RestrepoProfessor of Chemistry, University of Antioquia (Universidad de Antioquia)Dirección de correo verificada de udea.edu.co
Trond SaueResearcher, Laboratoire de Chimie et Physique Quantiques, CNRS/Université de ToulouseDirección de correo verificada de irsamc.ups-tlse.fr
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamDirección de correo verificada de vu.nl
Jochen AutschbachProfessor of Chemistry, University at Buffalo, State University of New YorkDirección de correo verificada de buffalo.edu

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Gustavo Adolfo Aucar

Professor of Physics. Northeastern University of Argentina

Dirección de correo verificada de unne.edu.ar

Chemistry Physics


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
The effect of lone pairs and electronegativity on the indirect nuclear spin–spin coupling constants in NH, O, S): Ab initio calculations using … PF Provasi, GA Aucar, SPA Sauer The Journal of Chemical Physics 115 (3), 1324-1334, 2001	309	2001
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties GA Aucar, T Saue, L Visscher, HJA Jensen The Journal of chemical physics 110 (13), 6208-6218, 1999	250	1999
Relativistic theory for indirect nuclear spin–spin couplings within the polarization propagator approach GA Aucar, J Oddershede International journal of quantum chemistry 47 (6), 425-435, 1993	134	1993
The use of locally dense basis sets in the calculation of indirect nuclear spin–spin coupling constants: The vicinal coupling constants in F, Cl, Br, I) PF Provasi, GA Aucar, SPA Sauer The Journal of Chemical Physics 112 (14), 6201-6208, 2000	115	2000
Relativistic effects on the nuclear magnetic shielding tensor JI Melo, MC Ruiz de Azua, CG Giribet, GA Aucar, RH Romero The Journal of chemical physics 118 (2), 471-486, 2003	111	2003
Polarization propagators: A powerful theoretical tool for a deeper understanding of NMR spectroscopic parameters GA Aucar, RH Romero, AF Maldonado International Reviews in Physical Chemistry 29 (1), 1-64, 2010	105	2010
Relativistic effects on nuclear magnetic shielding constants in and based on the linear response within the elimination of small component approach JI Melo, MC Ruiz de Azua, CG Giribet, GA Aucar, PF Provasi The Journal of chemical physics 121 (14), 6798-6808, 2004	81	2004
On the usage of locally dense basis sets in the calculation of NMR indirect nuclear spin–spin coupling constants: Vicinal fluorine–fluorine couplings M Sanchez, PF Provasi, GA Aucar, SPA Sauer Advances in Quantum Chemistry 48, 161-183, 2005	80	2005
Fully relativistic calculation of nuclear magnetic shieldings and indirect nuclear spin-spin couplings in group-15 and-16 hydrides SS Gomez, RH Romero, GA Aucar The Journal of Chemical Physics 117 (17), 7942-7946, 2002	76	2002
The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms AF Maldonado, GA Aucar Physical Chemistry Chemical Physics 11 (27), 5615-5627, 2009	73	2009
Viewpoint 8—polarization propagator analysis of spin-spin coupling constants RH Contreras, MCR De Azúa, CG Giribet, GA Aucar, RL De Bonczok Journal of Molecular Structure: THEOCHEM 284 (3), 249-269, 1993	73	1993
Large Long-Range F− F Indirect Spin− Spin Coupling Constants. Prediction of Measurable F− F Couplings over a Few Nanometers PF Provasi, GA Aucar, SPA Sauer The Journal of Physical Chemistry A 108 (25), 5393-5398, 2004	66	2004
Theoretical study of HCN and HNC neutral and charged clusters M Sanchez, PF Provasi, GA Aucar, I Alkorta, J Elguero The Journal of Physical Chemistry B 109 (38), 18189-18194, 2005	64	2005
Relativistic heavy-atom effects on heavy-atom nuclear shieldings P Lantto, RH Romero, SS Gómez, GA Aucar, J Vaara The Journal of chemical physics 125 (18), 2006	60	2006
Interaction Energies and NMR Indirect Nuclear Spin− Spin Coupling Constants in Linear HCN and HNC Complexes PF Provasi, GA Aucar, M Sanchez, I Alkorta, J Elguero, SPA Sauer The Journal of Physical Chemistry A 109 (29), 6555-6564, 2005	60	2005
New method to study spin-spin coupling constants involving heavy nuclei at the MNDO-RPA level with localized orbitals GA Aucar, RH Contreras Journal of Magnetic Resonance (1969) 93 (2), 413-418, 1991	46	1991
Operator representations in Kramers bases GA Aucar, HJA Jensen, J Oddershede Chemical physics letters 232 (1-2), 47-53, 1995	45	1995
NMR spectroscopic parameters of molecular systems with strong hydrogen bonds N Zarycz, GA Aucar, COD Védova The Journal of Physical Chemistry A 114 (26), 7162-7172, 2010	43	2010
Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants RH Contreras, CG Giribet, MCR De Azúa, CN Cavasotto, GA Aucar, ... Journal of Molecular Structure: THEOCHEM 210, 175-186, 1990	42	1990
Relativistic effects on group-12 metal nuclear shieldings J Roukala, AF Maldonado, J Vaara, GA Aucar, P Lantto Physical Chemistry Chemical Physics 13 (47), 21016-21025, 2011	41	2011

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