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José Elguero

Showing results (1-10 of 346) with videos related to

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Magnetic Resonance in Chemistry : MRC|March 23, 2010
A theoretical NMR study of ortho and para-substituted benzenes compared with silabenzenes, pyridines and phosphabenzenesIbon Alkorta, José Elguero
Organic & Biomolecular Chemistry|August 4, 2006
Theoretical models of directional proton molecular transportIbon Alkorta, José Elguero
Magnetic Resonance in Chemistry : MRC|April 11, 2012
Prototropic tautomerism of 5-aryloxy-1(2)H-tetrazolesIbon Alkorta, José Elguero
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 25, 2024
An ab Initio Study of High-Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and DimerizationIbon Alkorta, José Elguero
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 17, 2025
A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 CalculationsJosé Elguero, Ibon Alkorta
Organic & Biomolecular Chemistry|August 21, 2003
The influence of chain elongation on Karplus-type relationships: a DFT study of scalar coupling constants in polyacetylene derivativesIbon Alkorta, José Elguero
Molecules (Basel, Switzerland)|November 6, 2020
A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM)<i></i> for <i>n</i> = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC)José Elguero, Ibon Alkorta
Magnetic Resonance in Chemistry : MRC|September 24, 2004
A GIAO/DFT study of 1H, 13C and 15N shieldings in amines and its relevance in conformational analysisIbon Alkorta, José Elguero
Solid State Nuclear Magnetic Resonance|April 15, 2008
Cation dinitrogen complexes [N(2)...X...N(2)]+, X+=H+, Li+, Na+, Be(2+), Mg(2+)Ibon Alkorta, José Elguero
Magnetic Resonance in Chemistry : MRC|September 16, 2025
An Empirical Equation to Transform <sup>11</sup>B GIAO-Calculated Absolute Shieldings (σ, ppm) in Chemical Shifts (δ, ppm)Ibon Alkorta, José Elguero
Pageof 35

Showing results (1-10 of 346) with videos related to

Sort By:
Pageof 35
Magnetic Resonance in Chemistry : MRC|March 23, 2010
A theoretical NMR study of ortho and para-substituted benzenes compared with silabenzenes, pyridines and phosphabenzenesIbon Alkorta, José Elguero
Organic & Biomolecular Chemistry|August 4, 2006
Theoretical models of directional proton molecular transportIbon Alkorta, José Elguero
Magnetic Resonance in Chemistry : MRC|April 11, 2012
Prototropic tautomerism of 5-aryloxy-1(2)H-tetrazolesIbon Alkorta, José Elguero
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 25, 2024
An ab Initio Study of High-Energetic Trioxatriazinane Derivatives: Conformational Analysis, Nitrogen Inversion, Heats of Formation, Dissociation Reaction, and DimerizationIbon Alkorta, José Elguero
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 17, 2025
A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 CalculationsJosé Elguero, Ibon Alkorta
Organic & Biomolecular Chemistry|August 21, 2003
The influence of chain elongation on Karplus-type relationships: a DFT study of scalar coupling constants in polyacetylene derivativesIbon Alkorta, José Elguero
Molecules (Basel, Switzerland)|November 6, 2020
A Computational Study of Metallacycles Formed by Pyrazolate Ligands and the Coinage Metals M = Cu(I), Ag(I) and Au(I): (pzM)<i></i> for <i>n</i> = 2, 3, 4, 5 and 6. Comparison with Structures Reported in the Cambridge Crystallographic Data Center (CCDC)José Elguero, Ibon Alkorta
Magnetic Resonance in Chemistry : MRC|September 24, 2004
A GIAO/DFT study of 1H, 13C and 15N shieldings in amines and its relevance in conformational analysisIbon Alkorta, José Elguero
Solid State Nuclear Magnetic Resonance|April 15, 2008
Cation dinitrogen complexes [N(2)...X...N(2)]+, X+=H+, Li+, Na+, Be(2+), Mg(2+)Ibon Alkorta, José Elguero
Magnetic Resonance in Chemistry : MRC|September 16, 2025
An Empirical Equation to Transform <sup>11</sup>B GIAO-Calculated Absolute Shieldings (σ, ppm) in Chemical Shifts (δ, ppm)Ibon Alkorta, José Elguero
Pageof 35