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Alkorta, Ibon
PRODUCCION CIENTÍFICO TECNOLÓGICA
Mostrando ítems 1-15 de 15
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
)
Artículo
Analysis of the interactions in FCCF:(H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants
Caputo, Maria Cristina
;
Alkorta, Ibon
;
Provasi, Patricio Federico
;
Sauer, Stephan P. A.
(
Taylor & Francis Ltd
,
2017-12
)
Artículo
Anion-Anion Complexes Established between Aspartate Dimers
Miranda, Matias Orlando
;
Duarte, Darío Jorge Roberto
;
Alkorta, Ibon
(
Wiley VCH Verlag
,
2020-05
)
Artículo
Double hole-lump interaction between halogen atoms
Duarte, Darío Jorge Roberto
;
Peruchena, Nelida Maria
;
Alkorta, Ibon
(
American Chemical Society
,
2015-03-31
)
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
Halogen bonding: the role of the polarizability of the electron-pair donor
Duarte, Darío Jorge Roberto
;
Sosa, Gladis Laura
;
Peruchena, Nelida Maria
;
Alkorta, Ibon
(
Royal Society of Chemistry
,
2016-02
)
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
Simultaneous Occurrence of Quadruple Lewis Acid-Base Interactions between Selenium Atoms in Selenocarbonyl Dimers
Buralli, Gabriel Jesús
;
Duarte, Darío Jorge Roberto
;
Peruchena, Nelida Maria
;
Alkorta, Ibon
(
Wiley VCH Verlag
,
2017-12
)
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 structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution
Silva, Artur M. S.
;
Silva, Vera L. M.
;
Claramunt, Rosa M.
;
Santa María, Dolores
;
Ferraro, Marta Beatriz
;
Reviriego, Felipe
;
Alkorta, Ibon
;
Elguero, José
(
John Wiley & Sons Ltd
,
2013-09
)
Mostrando ítems 1-15 de 15