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Contreras, Ruben Horacio
PRODUCCION CIENTÍFICO TECNOLÓGICA
Mostrando ítems 1-20 de 21
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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
)
Mostrando ítems 1-20 de 21
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