Contreras, Ruben Horacio

PRODUCCION CIENTÍFICO TECNOLÓGICA

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Artículo 19F chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes

Ghiviriga, Ion; Zhang, Lianhao; Martinez, Henry; Contreras, Ruben Horacio ; Tormena, Cláudio F.; Nodin, Laura; Dolbier Jr., William R. (John Wiley & Sons Ltd, 2011-02)
Artículo 1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?

Cormanich, Rodrigo A.; Moreira, Marilua A.; Freitas, Matheus P.; Ramalho, Teodorico C.; Anconi, Cléber P. A.; Rittner, Roberto; Contreras, Ruben Horacio ; Tormena, Cláudio F. (John Wiley & Sons Ltd, 2011-11)
Artículo Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of 31P lone Pairs

Contreras, Ruben Horacio ; Gotelli, Gustavo A.; Ducati, Lucas C.; Barbosa, Thais M.; Tormena, Cláudio F. (American Chemical Society, 2010-02)
Artículo Analysis of the electronic origin of the1JCH spin-spin coupling trend in 1-X-cyclopropanes: Experimental and DFT study

Neto, Álvaro Cunha; Dos Santos, Francisco P.; Contreras, Ruben Horacio ; Rittner, Roberto; Tormena, Cláudio F. (American Chemical Society, 2008-11)
Capítulo de Libro Brief account of nonrelativistic theory of NMR parameters

Título del libro: High resolution NMR spectroscopy: understanding molecules and their electronic structures

Contreras, Ruben Horacio ; Ferraro, Marta Beatriz ; Ruiz de Azua, Martín César ; Aucar, Gustavo Adolfo - Otros responsables: Contreras, Ruben Horacio - (Elsevier, 2013)
Artículo Computational NMR coupling constants: Shifting and scaling factors for evaluating 1-J(CH)

San Fabián, J.; García de la Vega, J. M.; Suardíaz, R.; Fernandez Oliva, M.; Pérez, C.; Crespo Otero, R.; Contreras, Ruben Horacio (John Wiley & Sons Ltd, 2013-12)
Artículo Critical analysis of the through-space transmission of NMR J FH spin-spin coupling constants

Contreras, Ruben Horacio ; Ducati, Lucas C.; Tormena, Cláudio F. (John Wiley & Sons Inc, 2012-05)
Artículo Experimental, SOPPA(CCSD), and DFT analysis of substitutent effects on NMR 1 JCF coupling constants in fluorobenzene derivatives

Vilcachagua, Janaina Dantas; Ducati, Lucas C.; Rittner, Roberto; Contreras, Ruben Horacio ; Tormena, Cláudio F. (American Chemical Society, 2011-01)
Artículo Heavy halogen atom effect on 13C NMR chemical shifts in monohalo derivatives of cyclohexane and pyran. Experimental and theoretical study

Neto, Alvaro Cunha; Ducati, Lucas C.; Rittner, Roberto; Tormena, Cláudio F.; Contreras, Ruben Horacio ; Frenking, Gernot (American Chemical Society, 2009-07)
Artículo NMR spin-spin coupling constants and hyperconjugative interactions

Contreras, Ruben Horacio ; Suardíaz, R.; Pérez, C.; Crespo-Otero, R.; San Fabián, J.; De La García Vega, J.M. (John Wiley & Sons Inc, 2010-06)
Artículo NMR spin-spin couplings involving nuclei in the neighborhood of a carbonyl group. 3JCH couplings in α-substituted acetamides

Pedersoli, Susimaire; Dos Santos, Francisco P.; Rittner, Roberto; Contreras, Ruben Horacio ; Tormena, Cláudio F. (John Wiley & Sons Ltd, 2008-03)
Artículo Qualitative study of substituent effects on NMR15N and 17O chemical shifts

Contreras, Ruben Horacio ; Llorente, Tomás; Pagola, Gabriel Ignacio ; Bustamante Pilone, Manuel Guillermo; Pasqualini, Enrique E.; Melo, Juan Ignacio ; Tormena, Cláudio F. (American Chemical Society, 2009-08)
Artículo Stereochemical dependence of 3J CH coupling constants in 2-substituted 4-t-butyl-cyclohexanone and their alcohol derivatives

Favaro, Denize C.; Ducati, Lucas C.; Dos Santos, Francisco P.; Contreras, Ruben Horacio ; Tormena, Claudio F. (American Chemical Society, 2011-11)
Artículo Stereochemical dependence of NMR geminal spin-spin coupling constants

Contreras, Ruben Horacio ; Provasi, Patricio Federico ; Dos Santos, Francisco P.; Tormena, Claudio F. (John Wiley & Sons Ltd, 2008-12)
Artículo The effect of carbonyl group in the asymmetry of3,4J CH coupling constants in norbornanones

Dos Santos, Francisco P.; Tormena, Claudio F.; Contreras, Ruben Horacio ; Rittner, Roberto; Magalhães, Alvicler (John Wiley & Sons Ltd, 2008-02)
Artículo The electronic origin of unusually large nJFN coupling constants in some Fluoroximes

Favaro, Denize C.; Contreras, Ruben Horacio ; Tormena, Claudio F. (John Wiley & Sons Ltd, 2013-04-04)
Capítulo de Libro The Polarization Propagator Approach as a Tool to Study Electronic Molecular Structures from High-Resolution NMR Parameters

Título del libro: High Resolution NMR Spectroscopy: Understanding Molecules and their Electronic Structures

Aucar, Gustavo Adolfo ; Ruiz de Azua, Martín César ; Giribet, Claudia Gloria - Otros responsables: Contreras, Ruben Horacio - (Elsevier, 2013)
Artículo Theoretical NMR nJ(13C,13C) Scalar Couplings as Probes to Study Diamagnetic Ring Currents in Fullerenes

Contreras, Ruben Horacio ; Peralta, Juan E.; Barone, Verónica; Scuseria, Gustavo E. (Elsevier Academic Press Inc., 2005-12)
Artículo Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2 J FF couplings

Ducati, Lucas C.; Contreras, Ruben Horacio ; Tormena, Cláudio F. (American Chemical Society, 2012-05)
Artículo Unusual Through-Space, TS, Pathway for the Transmission of JFHf Coupling: 2‑Fluorobenzaldehyde Study Case

Favaro, Denize C.; Contreras, Ruben Horacio ; Tormena, Cláudio F. (American Chemical Society, 2013-06-29)

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