Elguero, José

PRODUCCION CIENTÍFICO TECNOLÓGICA

Mostrando ítems 1-10 de 10

Artículo A computational study of ² JHH(gem) indirect spin-spin coupling constants in simple hydrides of the second and third periods

Alkorta, Ibon; Provasi, Patricio Federico ; Aucar, Gustavo Adolfo ; Elguero, José (John Wiley & Sons Ltd, 2008-02)
Artículo A Density functional theory study of optical rotation in some aziridine and oxirane derivatives

Galeano Carrano, Ramiro Sebastián; Provasi, Patricio Federico ; Ferraro, Marta Beatriz ; Alkorta, Ibon; Elguero, José; Sauer, Stephan P. A. (Wiley VCH Verlag, 2021-02)
Artículo A quantum-chemical study of boro-fullerenes B60H60, B60F30H30, and B60F60

Oña, Ofelia Beatriz ; Ferrer, Maxime; Alcoba, Diego Ricardo ; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo Ernesto ; Klein, Douglas J.; Alkorta, Ibon; Elguero, José; Oliva Enrich, Josep M. (Elsevier B.V., 2023-02)
Artículo Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin-spin coupling constants

Provasi, Patricio Federico ; Caputo, Maria Cristina ; Sauer, Stephan P. A.; Alkorta, Ibon; Elguero, José (Elsevier, 2012-10)
Evento Efectos de la interacción FCCF:H2O en las constantes de acoplamiento intramoleculares

Provasi, Patricio Federico ; Caputo, Maria Cristina ; Zarycz, Maria Natalia Cristina ; Sauer, Stephan P. A.; Alkorta, Ibon; Elguero, José (Asociación Física Argentina, 2016)
Artículo On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide

Sánchez, Marina; Alkorta, Ibon; Elguero, José; Ferraro, Marta Beatriz ; Sauer, Stephan P. A. (Taylor & Francis, 2014-09)
Artículo Resolving an apparent discrepancy between theory and experiment: spin–spin coupling constants for FCCF

Del Bene, Janet E.; Provasi, Patricio Federico ; Alkorta, Ibon; Elguero, José (Wiley, 2008-09)
Artículo The 1H NMR spectrum of pyrazole in a nematic phase

Provasi, Patricio Federico ; Jimeno, María Luisa; Alkorta, Ibon; Reviriego, Felipe; Elguero, José; Jokisaarid, Jukka (John Wiley & Sons Ltd, 2016-03)
Artículo The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations

Alkorta, Ibon; Claramunt, Rosa M.; Elguero, José; Ferraro, Marta Beatriz ; Facelli, Julio C.; Provasi, Patricio Federico ; Reviriego, Felipe (Elsevier Science, 2014-07)
Artículo The structure of b-diketones related to curcumin determined by X-ray crystallography, NMR (solution and solid state) and theoretical calculations

Nieto, Carla I.; Abelaira, Pilar ; Claramunt, Rosa M.; Cornago, Pilar; Sanz, Dionisia; Torralba, M. Carmen; Torres, M. Rosario; Ferraro, Marta Beatriz ; Ibon Alkorta; Marín Luna, M.; Elguero, José (Springer/Plenum Publishers, 2016-01)

Mostrando ítems 1-10 de 10