INVESTIGADORES
AUCAR gustavo Adolfo
artículos
CHAMORRO, YULY; FLÓREZ, EDISON; MALDONADO, ALEJANDRO; AUCAR, GUSTAVO; RESTREPO, ALBEIRO
Microsolvation of heavy halides
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2021 vol. 121
REVIGLIO, ANA L.; MARTÍNEZ, FERNANDO A.; MONTERO, MARCOS D. A.; GARRO-LINCK, YAMILA; AUCAR, GUSTAVO A.; SPERANDEO, NORMA R.; MONTI, GUSTAVO A.
Accurate location of hydrogen atoms in hydrogen bonds of tizoxanide from the combination of experimental and theoretical models
RSC Advances; Año: 2021 vol. 11 p. 7644 - 7652
BAJAC, DANIEL F. E.; AUCAR, I. AGUSTÍN; AUCAR, GUSTAVO A.
Absolute NMR shielding scales in methyl halides obtained from experimental and calculated nuclear spin-rotation constants
Physical Review A; Año: 2021 vol. 104
VELÁSQUEZ, ANGIE; CHAMORRO, YULY; MALDONADO, ALEJANDRO; AUCAR, GUSTAVO; RESTREPO, ALBEIRO
Microsolvation of Sr2+, Ba2+: Structures, energies, bonding, and nuclear magnetic shieldings
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2021 vol. 121
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
SANTA CRUZ, TERESITA; AUCAR, GUSTAVO A.
On the invariance of polarization propagators at SOPPA level of approach under unitary transformations of MOs
CHEMICAL PHYSICS LETTERS; Año: 2020 vol. 761
KAROL KOZIOL; AUCAR, I. AGUSTÍN; AUCAR, GUSTAVO A.
Relativistic and QED effects on NMR magnetic shielding constant of neutral and ionized atoms and diatomic molecules
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2019 vol. 150
AUCAR, GUSTAVO A.; MALDONADO, ALEJANDRO F.; MONTERO, MARCOS D. A.; SANTA CRUZ, TERESITA
Theoretical developments and applications of polarization propagators
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2019 vol. 119
MONTERO, MARCOS D. A.; MARTÍNEZ, FERNANDO A.; AUCAR, GUSTAVO A.
Magnetic descriptors of hydrogen bonds in malonaldehyde and its derivatives
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2019 vol. 21 p. 19742 - 19754
JUAN I MELO; ALEJANDRO MALDONADO; AUCAR, GUSTAVO A.
Performance of the LRESC Model on top of DFT Functionals for Relativistic NMR Shielding Calculations
Journal of Chemical Information and Modeling; Año: 2019 vol. 60 p. 722 - 730
AUCAR, GUSTAVO A.; MELO, JUAN I.; AUCAR, IGNACIO AGUSTÍN; MALDONADO, ALEJANDRO F.
Foundations of the LRESC model for response properties and some applications
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2018 vol. 118
KOZIO?, KAROL; GIMÉNEZ, CARLOS A.; AUCAR, GUSTAVO A.
Breit corrections to individual atomic and molecular orbital energies
JOURNAL OF CHEMICAL PHYSICS; Año: 2018 vol. 148
KOZIO?, KAROL; AUCAR, GUSTAVO A.
QED effects on individual atomic orbital energies
JOURNAL OF CHEMICAL PHYSICS; Año: 2018 vol. 148 p. 134101 - 134113
AUCAR, I. AGUSTÍN; GIMÉNEZ, CARLOS A.; AUCAR, GUSTAVO A.
Influence of the nuclear charge distribution and electron correlation effects on magnetic shieldings and spin-rotation tensors of linear molecules
RSC Advances; Lugar: Londres; Año: 2018 vol. 8 p. 20234 - 20249
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
MARTÍNEZ, FERNANDO A.; AUCAR, GUSTAVO A.
Intermolecular magnetic interactions in stacked DNA base pairs
Physical chemistry chemical physics : PCCP; Año: 2017 vol. 19 p. 27817 - 27827
EDISON FLOREZ; ALEJANDRO MALDONADO; GUSTAVO A. AUCAR; JORGE DAVID; ALBEIRO RESTREPO
Microsolvation of methylmercury: structures, energies, bonding and NMR constants ( 199 Hg, 13 C and 17 O)
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2016 vol. 18 p. 1537 - 1550
CARLOS A. GIMENEZ; KAROL KOZIOL; GUSTAVO A. AUCAR
Quantum electrodynamics effects on NMR magnetic shielding constants of He-like and Be-like atomic systems
PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: New York; Año: 2016 vol. 93 p. 32504 - 32510
AUCAR, I. AGUSTÍN; GOMEZ, SERGIO S.; GIRIBET, CLAUDIA G.; AUCAR, GUSTAVO A.
Role of Spin-Dependent Terms in the Relationship among Nuclear Spin-Rotation and NMR Magnetic Shielding Tensors
Journal of Physical Chemistry Letters; Año: 2016 vol. 7 p. 5188 - 5192
CARLOS A. GIMENEZ; ALEJANDRO MALDONADO; GUSTAVO A. AUCAR
Relativistic and electron correlation effects on NMR J‑coupling of Sn and Pb containing molecules
THEORETICAL CHEMISTRY ACCOUNTS; Lugar: Berlin; Año: 2016 vol. 135 p. 201 - 212
IGNACIO AGUSTIN AUCAR; SERGIO S. GOMEZ; CLAUDIA G. GIRIBET; ALEJANDRO MALDONADO Y GUSTAVO 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
ALEJANDRO MALDONADO; JUAN IGNACIO MELO; GUSTAVO A. AUCAR
Theoretical analysis of NMR shieldings of group-11 metal halides on MX (M = Cu, Ag, Au; X = H, F, Cl, Br, I) molecular systems, and the appearance of quasi instabilities on AuF
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2015 vol. 17 p. 25516 - 25524
ALEJANDRO MALDONADO; GUSTAVO A. AUCAR
Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH 3 ) 4
CHEMICAL PHYSICS; Lugar: Amsterdam; Año: 2015 vol. 459 p. 125 - 130
KIPLANGAT SUTTER,; GUSTAVO A. AUCAR; JOCHEN AUTSCHBACH
Analysis of Proton NMR in Hydrogen Bonds in Terms of Lone-Pair and Bond Orbital Contributions
Chemistry - A European Journal; Año: 2015 vol. 21 p. 18138 - 18155
TERESITA SANTA CRUZ; GUSTAVO A. AUCAR
Desarrollo a orden estricto c(-4) del modelo LRESC
FACENA; Lugar: Corrientes; Año: 2014 vol. 30 p. 35 - 47
ALEJANDRO MALDONADO; GUSTAVO A. AUCAR; JUAN IGNACIO MELO
Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH 4−n Y n (n=0?4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compounds
JOURNAL OF MOLECULAR MODELING - (Online); Año: 2014 vol. 20 p. 2417 - 2432
ALEJANDRO MALDONADO; GUSTAVO A. AUCAR
Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms
JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2014 vol. 118 p. 7863 - 7875
ALEJANDRO MALDONADO; GUSTAVO A. AUCAR; JUAN IGNACIO MELO
Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4−n Yn (n=0?4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compounds
JOURNAL OF MOLECULAR MODELING - (Online); Año: 2014 vol. 20 p. 2417 - 2433
GUSTAVO A. AUCAR
Toward a QFT-based theory of atomic and molecular properties
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2014 vol. 16 p. 4420 - 4438
JUAN IGNACIO MELO; ALEJANDRO MALDONADO; GUSTAVO A. AUCAR
Relativistic effects on nuclear magnetic shieldings of CHnX 4-n and CHXYZ (X, Y, Z = H, F, Cl, Br, I)
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2012 vol. 137 p. 214319 - 214330
NATALIA ZARYCZ; GUSTAVO A. AUCAR
The analysis of NMR J-couplings of saturated and unsaturated compounds by the localized second order polarization propagator approach method
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2012 vol. 136 p. 174115 - 174126
NATALIA ZARYCZ; GUSTAVO A. AUCAR
Analysis of Electron Correlation Effects and Contributions of NMR J-Couplings from Occupied Localized Molecular Orbitals
JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2012 vol. 116 p. 1272 - 1283
ALEJANDRO MALDONADO; CARLOS A. GIMENEZ; GUSTAVO A. AUCAR
Nuclear charge-distribution effects on the NMR spectroscopy parameters
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2012 vol. 136 p. 224110 - 224120
ALEJANDRO MALDONADO; CARLOS A. GIMENEZ; GUSTAVO A. AUCAR
NMR espectroscopic parameters of HX and Si (Sn)X4 (X = H, F, Cl, Br and I) and SnBr4
CHEMICAL PHYSICS; Lugar: Amsterdam; Año: 2012 vol. 395 p. 75 - 81
JUHO ROUKALA; ALEJANDRO MALDONADO; JUHA VAARA; GUSTAVO A. AUCAR; PERTTU LANTO
Relativistic effects on group-12 metal nuclear shieldings
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2011 vol. 13 p. 21016 - 21025
SERGIO GÓMEZ; GUSTAVO A. AUCAR
Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2011 vol. 134 p. 204314 - 204325
JUAN IGNACIO MELO; ALEJANDRO MALDONADO; GUSTAVO A. AUCAR
Relativistic effects on the shielding of SnH2XY and PbH2XY (X, Y 5 F, Cl, Br and I) heavy atom–containing molecules
THEORETICAL CHEMISTRY ACCOUNTS; Lugar: Berlin; Año: 2011 vol. 129 p. 483 - 494
GUSTAVO A. AUCAR, RODOLFO H ROMERO Y ALEJANDRO F MALDONADO
Polarization propagators: A powerful theoretical tool for a deeper understanding of NMR spectroscopic parameters
International Reviews in Physical Chemistry; Año: 2010 vol. 29 p. 1 - 64
NATALIA ZARYCZ; GUSTAVO A. AUCAR; CARLOS DELLA VÉDOVA
NMR spectroscopic parameters of molecular systems with strong hydrogen bonds
JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: New York; Año: 2010 vol. 114 p. 7162 - 7172
GUSTAVO A. AUCAR, RODOLFO H ROMERO Y ALEJANDRO F MALDONADO
Polarization propagators: A powerful theoretical tool for a deeper understanding of NMR spectroscopic parameters
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY; Año: 2010 vol. 29 p. 1 - 64
ALEJANDRO MALDONADO; GUSTAVO A. AUCAR
The UKB prescription and the heavy atom effects on the nuclear magnetic shielding of vicinal heavy atoms
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: Londres; Año: 2009 vol. 11 p. 5615 - 5627
GUSTAVO A. AUCAR
Understanding NMR J-couplings by the Theory of Polarization Propagators
Concepts in Magnetic Resonance Part A; Año: 2008 vol. 32A p. 88 - 116
GUSTAVO A. AUCAR
Understanding NMR J-couplings by the Theory of Polarization Propagators
CONCEPTS IN MAGNETIC RESONANCE PART A; Año: 2008 vol. 32A p. 88 - 116
IBON ALKORTA, PATRICIO F. PROVASI, GUSTAVO A. AUCAR, JOSÉ ELGUERO
A computational study of 2JHH(gem) indirect spin-spin coupling constants in simple hydrides of the second and third periods
MAGNETIC RESONANCE IN CHEMISTRY; Año: 2008 vol. 46 p. 356 - 361
NATALIA ZARYCZ Y GUSTAVO AUCAR
Theoretical NMR Spectroscopic Analysis of the Intramolecular Proton Transfer Mechanism in ortho-Hydroxyaryl (Un-)Substitued Schiff Bases
JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2008 vol. 112 p. 8767 - 8774
ALEJANDRO MALDONADO Y GUSTAVO A. AUCAR
The appearance of an interval of energies that contain the whole diamagnetic contribution to NMR magnetic shieldings
JOURNAL OF CHEMICAL PHYSICS; Año: 2007 vol. 127 p. 154115 - 154123
P- LANTTO, S. S. GOMEZ, R. H. ROMERO, G. A. AUCAR AND J. VAARA
Relativistic heavy-atom effects on heavy-atom nuclear shieldings
JOURNAL OF CHEMICAL PHYSICS; Año: 2006 vol. 125 p. 184113 - 184126
S. S. GOMEZ, A. MALDONADO AND G. A. AUCAR
Relativistic effects on the nuclear magnetic shieldings of rare gas atoms and halogen halides within relativistic polarization propagator theory
JOURNAL OF CHEMICAL PHYSICS; Año: 2005 vol. 123 p. 214108 - 214115
M. SANCHEZ, P. F. PROVASI, G. A. AUCAR, I. ALKORTA AND J. ELGUERO
Theoretical study of HCN and HNC neutral and charged clusters
JOURNAL OF PHYSICAL CHEMISTRY B; Año: 2005 vol. 109 p. 18189 - 18194
P. F. PROVASI, G. A. AUCAR, M. SANCHEZ, I. ALKORTA, J. ELGUERO AND S. P. A. SAUER
Interaction energies and NMR indirect nuclear spin-spin coupling constant in linear HCN and HNC complexes
JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2005 vol. 109 p. 6555 - 6564
S. S. GOMEZ, J. I. MELO, R. H. ROMERO, G. A. AUCAR AND M. C. RUIZ DE AZÚA
Relativistic corrections to the diamagnetic term of the nuclear magnetic shielding: Analysis of contributions from localized orbitals
JOURNAL OF CHEMICAL PHYSICS; Año: 2005 vol. 122 p. 64103 - 64110
JUAN I. MELO, MARTIN C. RUIZ DE AZUA, CLAUDIA G. GIRIBET, GUSTAVO A. AUCAR, AND PATRICIO 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; Año: 2004 vol. 121 p. 6798 - 6808
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
JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2004 vol. 108 p. 6231 - 6238
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
JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2004 vol. 108 p. 5393 - 5398
C.A. GO´MEZ, P.F. PROVASI, G.A. AUCAR
Propagator matrices as matrices of power’s series. II. It’s relationship with HF´s stability problems
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Año: 2003 vol. 620 p. 149 - 156
JUAN I. MELO, MARTIN C. RUIZ DE AZUA, CLAUDIA G. GIRIBET, GUSTAVO A. AUCAR, AND RODOLFO H. ROMERO
Relativistic effects on the nuclear magnetic shielding tensor
JOURNAL OF CHEMICAL PHYSICS; Año: 2003 vol. 1181 p. 471 - 487
SERGIO S. GOMEZ, RODOLFO H. ROMERO *,GUSTAVO A. AUCAR
Relativistic mass-corrections to the heavy atom
CHEMICAL PHYSICS LETTERS; Año: 2003 vol. 367 p. 265 - 269
PATRICIO F. PROVASI, GUSTAVO A. AUCAR AND STEPHAN P. A. SAUER
The Effect of Substituents on Indirect Nuclear Spin-Spin
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; Año: 2003 vol. 4 p. 231 - 248
RODOLFO H. ROMERO; GUSTAVO A. AUCAR
Self-energy Effects on Nuclear Magnetic Resonance Parameters within Quantum Electrodynamics Perturbation Theory
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; Lugar: Basel; Año: 2002 vol. 3 p. 914 - 930
RODOLFO H. ROMERO; GUSTAVO A. AUCAR
QED approach to the nuclear spin-spin coupling tensor
PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: New York; Año: 2002 vol. 65 p. 53411 - 53420
CARLOS GÓMEZ; PATRICIO F. PROVASI; GUSTAVO A. AUCAR
Propagator matrices as matrices of power series. I: Its zeroth order and the Pople Santry model
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2002 vol. 584 p. 159 - 168
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
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2002 vol. 117 p. 7942 - 7947
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 „XÄCH2 , NH, O, S…: Ab initio calculations using optimized contracted basis sets
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2001 vol. 115 p. 1324 - 1335
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 „XÄH, F, Cl, Br, I…
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2000 vol. 112 p. 6201 - 6208
EDITH L. BOTEK; GUSTAVO A. AUCAR; MIKE G. CORY; MIKE 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
JOURNAL OF ORGANOMETALLIC CHEMISTRY; Lugar: Amsterdam; Año: 2000 vol. 598 p. 193 - 201
MARÍA V. GODOY; PATRICIO F. PROVASI; GUSTAVO A. AUCAR
ANALISIS EMPIRICO DE ALGORITMOS DE INVERSION DE MATRICES, APLICADOS AL CALCULO DE PROPIEDADES MOLECULARES
FACENA; Lugar: Corrientes; Año: 2000 vol. 16 p. 19 - 30
GUSTAVO A. AUCAR; TROND SAUE; LUUK VISSCHER; HANS J. JENSEN
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties
JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 1999 vol. 110 p. 6208 - 6218
ROSANA LOBAYAN; GUSTAVO A. AUCAR
NMR-K reduced coupling constants within the CLOPPA-PM3 approach. II: shortcomings and how to overcome them
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1998 vol. 452 p. 13 - 23
ROSANA LOBAYAN; GUSTAVO A. AUCAR
NMR-K reduced coupling constant calculations within the CLOPPA-PM3 approach: I. General results
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1998 vol. 452 p. 1 - 11
RODOLFO H. ROMERO; GUSTAVO A. AUCAR
Relativistic correction of the generalized oscillator strength sum rules
PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: New York; Año: 1998 vol. 57 p. 2212 - 2215
JOSÉ A. GONZALEZ; GUSTAVO A. AUCAR; MARTÍN RUIZ DE AZÚA; RUBÉN H. CONTRERAS
Cloppa RPA]AM1 Analysis of the Anisotropy of NMR 1J(XY) Coupling Tensors in Me XY Compounds 3 ( 13 29 119 207 X = C, Si, Sn, Pb; Y =19F, 35Cl)
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 1997 vol. 61 p. 823 - 833
EDUARDO G. GIMENEZ; JOSÉ A. GONZALEZ; GUSTAVO A. AUCAR
EFICIENCIAS RELATIV AS DE PROGRAMAS ESCRITOS EN LENGUAJE FORTRAN Y C PARA EL CALCULO DE PROPIEDADES MOLECULARES
FACENA; Lugar: Corrientes; Año: 1997 vol. 13 p. 7 - 15
GUSTAVO A. AUCAR; EDITH L. BOTEK; SUSANA B. GOMEZ; EDUARDO SPROVIERO; RUBÉN H. CONTRERAS
RPA AM1 calculations of NMR spin-spin coupling constants: geminal119Snsingle bond119Sn couplings
JOURNAL OF ORGANOMETALLIC CHEMISTRY; Lugar: Amsterdam; Año: 1996 vol. 524 p. 1 - 7
GUSTAVO A. AUCAR
Restrictions on ground state average values imposed by time reversal symmetry
CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 1996 vol. 254 p. 13 - 20
ROSANA LOBAYAN; GUSTAVO A. AUCAR; RUBÉN H. CONTRERAS
INTERPRETACION DEL SIGNO DE LA CONSTANTE DE ACOPLAMIENTO INDIRECTO ENTRE ESPINES NUCLEARES SEGUN EL MODELO CLOPPA
FACENA; Lugar: Corrientes; Año: 1996 vol. 12 p. 15 - 32
JOSÉ A. GONZALEZ; GUSTAVO A. AUCAR
APLICACION DE LA ANISOTROPIA DEL TENSOR J EN LA DETERMINACION DE DISTANCIAS INTERA TOMICAS EN MUESTRAS SOLJDAS
FACENA; Lugar: Corrientes; Año: 1996 vol. 12 p. 3 - 14
ERNEST W. DELLA; IAN J. LOCKERT; NÉLIDA PERUCHENA; GUSTAVO A. AUCAR; RUBÉN H. CONTRERAS
EXPERIMENTAL AND THEORETICAL STUDY OF SUBSTITUENT EFFECTS ON 3J( 13 CI- 1H) COUPLING CONSTANTS
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY; Lugar: Londres; Año: 1996 vol. 9 p. 168 - 178
GUSTAVO A. AUCAR; HANS J. JENSEN; JENS ODDERSHEDE
Operator representations in Kramers bases
CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 1995 vol. 232 p. 47 - 56
GUSTAVO A. AUCAR; JENS ODDERSHEDE; JOHN SABIN
Relativistic extension of the Bethe sum rule
PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: New York; Año: 1995 vol. 52 p. 1054 - 1059
NÉLIDA PERUCHENA; LAURA SOSA; GUSTAVO A. AUCAR; RUBÉN H. CONTRERAS
RPA MNDO analysis of the dihedral angle dependence of vicinal...
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1995 vol. 330 p. 211 - 216
GUSTAVO A. AUCAR; JENS ODDERSHEDE
Relativistic Theory for Indirect Nuclear Spin-Spin Couplings within the Polarization Propagator Approach
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 1993 vol. 47 p. 425 - 435
CLAUDIA G. GIRIBET; MARTÍN RUIZ DE AZÚA; RUBÉN H. CONTRERAS; ROSANA LOBAYAN; GUSTAVO A. AUCAR
Polarization propagator analysis of the through space transmission of spin-spin coupling constants by overlap of lone pairs
JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 1993 vol. 300 p. 467 - 477
JOSÉ A. GONZALEZ; GUSTAVO A. AUCAR; MARTÍN RUIZ DE AZÚA; RUBÉN H. CONTRERAS
SOBRE LA ANISOTROPIA EN EL TENSOR DE ACOPLAMIENTO U(Sn-X), (X=F, Cl) DE LOS COMPUESTOS SnMe3X EN FASE SOLIDA
FACENA; Lugar: Corrientes; Año: 1992 vol. 9 p. 173 - 187
GUSTAVO A. AUCAR; RUBÉN H. CONTRERAS
New Method to Study Spin-Spin Coupling Constants Involving Heavy Nuclei at the MNDO-RPA Level with Localized Orbitals
JOURNAL OF MAGNETIC RESONANCE; Lugar: Amsterdam; Año: 1991 vol. 93 p. 413 - 418
RUBÉN H. CONTRERAS; CLAUDIA G. GIRIBET; MARTÍN RUIZ DE AZÚA; CLAUDIO N CAVASOTTO; GUSTAVO A. AUCAR; LEONID B. KRIVDIN
Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1990 vol. 210 p. 175 - 186
GUSTAVO A. AUCAR; SUSANA B. GOMEZ; RUBÉN H. CONTRERAS
ANAL ISIS DE LA TRANSMISION DEL ACOPLAMIENTO DE SPIN NUCLEAR N-F EN LA 2-FLUOR PIRIDINA
FACENA; Lugar: Corrientes; Año: 1990 vol. 8 p. 147 - 156
GUSTAVO A. AUCAR; NÉLIDA PERUCHENA; RUBÉN H. CONTRERAS
LARGE SPIN-DIPOLAR LONG-RANGE F-F COUPLING CONSTANTS IN CONJUGATIVE COMPOUNDS: THEIR STUDY USING PROPAGATORS*
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1990 vol. 210 p. 205 - 210
GUSTAVO A. AUCAR; MARTÍN RUIZ DE AZÚA; CLAUDIA G. GIRIBET; RUBÉN H. CONTRERAS
ANALYSIS OF MULTIPATH TRANSMISSION OF SPIN-SPIN , COUPLING ... Part II
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1990 vol. 205 p. 79 - 88
GUSTAVO A. AUCAR; VERÓNICA ZUNINO; MARTA B FERRARO; CLAUDIA G. GIRIBET; MARTÍN RUIZ DE AZÚA; RUBÉN H. CONTRERAS
ANALYSIS OF MULTIPATH TRANSMISSION OF SPIN-SPIN COUPLING CONSTANTS IN l-X-BICYCLOALKANES P
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1990 vol. 205 p. 63 - 77
GUSTAVO A. AUCAR; CLAUDIA G. GIRIBET; MARTÍN RUIZ DE AZÚA; AGUSTÍN C DIZ; RUBÉN H. CONTRERAS
ANALYSIS OF THE PHOSPHORUS LONE-PAIR ORIENTATIONAL EFFECT ON 31P_13C COUPLINGS IN 7-(PHOSPHAMETHYL)NORBORNENE
JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 1988 vol. 164 p. 1 - 15
AGUSTIN C DIZ; CLAUDIA G. GIRIBET; MARTÍN RUIZ DE AZÚA; RUBÉN H. CONTRERAS; GUSTAVO A. AUCAR
Theoretical IPPP Analysis of 13C-31PT hrough- Space Indirect Couplings in Phosphorus-substituted Alkenes
MAGNETIC RESONANCE IN CHEMISTRY; Lugar: LOndres; Año: 1987 vol. 25 p. 883 - 888