Search Results - "Taurian, Oscar E."

Lone-Pair Orientation Effect of an α-Oxygen Atom on (1)JCC NMR Spin-Spin Coupling Constants in o-Substituted Phenols. Experimental and DFT Study by Taurian, Oscar E, Contreras, Rubén H, De Kowalewski, Dora G, Pérez, Jorge E, Tormena, Cláudio F

“…The well-known N lone-pair orientation effect on (1)JCC spin-spin coupling constants (SSCCs) in oximes and their derivatives was used to study how negative…”
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Lone-Pair Orientation Effect of an α-Oxygen Atom on 1 J CC NMR Spin−Spin Coupling Constants in o-Substituted Phenols. Experimental and DFT Study by Taurian, Oscar E, Contreras, Rubén H, De Kowalewski, Dora G, Pérez, Jorge E, Tormena, Cláudio F

“…The well-known N lone-pair orientation effect on 1 J CC spin−spin coupling constants (SSCCs) in oximes and their derivatives was used to study how negative…”
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Solvent Effects on Nuclear Magnetic Resonance 2J(C,Hf) and 1J(C,Hf) Spin–Spin Coupling Constants in Acetaldehyde by Zaccari, Daniel, Barone, Verónica, Peralta, Juan E., Contreras, Rubén H., Taurian, Oscar E., Díez, Ernesto, Esteban, Angel

“…The known solvent dependence of 1J(Cc,Hf) and 2J(C1,Hf) couplings in acetaldehyde is studied from a theoretical viewpoint based on the density functional…”
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Theoretical studies on solid ammonia. 1. Electron density by Taurian, Oscar E, Lunell, Sten

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Theoretical study of the short asymmetric [O...H...O] hydrogen bond in solid potassium hydrogen diformate, including electron correlation by Gejji, Shridhar P, Taurian, Oscar E, Lunell, Sten

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NMR J( 13C, 13C) spin–spin coupling constants in pyridine-carboxaldehydes. Experimental and DFT-B3LYP studies by Taurian, Oscar E., De Kowalewski, Dora G., Pérez, Jorge E., Contreras, Rubén H.

“…J( 13C, 13C) spin–spin couplings were measured at natural abundance in five pyridine aldehyde derivatives. Such couplings were also calculated at the…”
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Solvent Effects on Nuclear Magnetic Resonance 2J(C,Hf) and 1J(C,Hf) Spin–Spin Coupling Constants in Acetaldehyde by Angel Esteban, Ernesto Díez, Oscar E. Taurian, Rubén H. Contreras, Juan E. Peralta, Verónica Barone, Daniel Zaccari

“…The known solvent dependence of 1J(Cc,Hf) and 2J(C1,Hf) couplings in acetaldehyde is studied from a theoretical viewpoint based on the density functional…”
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Natural J coupling (NJC) analysis of the electron lone pair effect on NMR couplings: 2. The anomeric effects on 1 J (C, H) couplings and its dependence on solvent by ZACCARI, DANIEL G., SNYDER, JAMES P., PERALTA, JUAN E., TAURIAN, OSCAR E., CONTRERAS, RUBÉN H., BARONE, VERÓNICA

“…The electronic origin of the influence of the anomeric effect (negative hyperconjugative interaction, NHI) on the Fermi contact (FC) term of 1 J(C, H)…”
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Some remarks on the projector associated with the intersection of two linear manifolds by Taurian, Oscar E., Löwdin, Per-Olov

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