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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 17, 2025
A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 Calculations
José Elguero, Ibon Alkorta
The Journal of Physical Chemistry. A
|
September 15, 2006
Competition between nonclassical hydrogen-bonded acceptor sites in complexes of neutral AH2 Radicals (A = B, Al, and Ga): A theoretical investigation
Mohammad Solimannejad, Ibon Alkorta
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2024
Simple carbenes as hydrogen bond acceptors: <i>ab initio</i> determination of nucleophilicities and reduced nucleophilicities
Ibon Alkorta, Anthony Legon
Organic & Biomolecular Chemistry
|
August 21, 2003
The influence of chain elongation on Karplus-type relationships: a DFT study of scalar coupling constants in polyacetylene derivatives
Ibon 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
Physical Chemistry Chemical Physics : PCCP
|
March 7, 2022
A reduced electrophilicity for simple Lewis acids A involved in non-covalent interactions with Lewis bases B
Ibon Alkorta, Anthony Legon
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 analysis
Ibon 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
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 7, 2025
Variation of Nucleophilicity N<sub>HnA</sub> of Atoms A in Hydrides H<sub>n</sub>A with the Group and Row of A in the Periodic Table
Ibon Alkorta, Anthony Legon
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Search research articles
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Showing results (11-20 of 391) with videos related to
Sort By:
Page
of 40
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 17, 2025
A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 Calculations
José Elguero, Ibon Alkorta
The Journal of Physical Chemistry. A
|
September 15, 2006
Competition between nonclassical hydrogen-bonded acceptor sites in complexes of neutral AH2 Radicals (A = B, Al, and Ga): A theoretical investigation
Mohammad Solimannejad, Ibon Alkorta
Physical Chemistry Chemical Physics : PCCP
|
December 12, 2024
Simple carbenes as hydrogen bond acceptors: <i>ab initio</i> determination of nucleophilicities and reduced nucleophilicities
Ibon Alkorta, Anthony Legon
Organic & Biomolecular Chemistry
|
August 21, 2003
The influence of chain elongation on Karplus-type relationships: a DFT study of scalar coupling constants in polyacetylene derivatives
Ibon 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
Physical Chemistry Chemical Physics : PCCP
|
March 7, 2022
A reduced electrophilicity for simple Lewis acids A involved in non-covalent interactions with Lewis bases B
Ibon Alkorta, Anthony Legon
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 analysis
Ibon 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
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 7, 2025
Variation of Nucleophilicity N<sub>HnA</sub> of Atoms A in Hydrides H<sub>n</sub>A with the Group and Row of A in the Periodic Table
Ibon Alkorta, Anthony Legon
Page
of 40