J
José Elguero
Researcher at Spanish National Research Council
Publications - 1374
Citations - 31355
José Elguero is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Hydrogen bond & Tautomer. The author has an hindex of 69, co-authored 1346 publications receiving 29017 citations. Previous affiliations of José Elguero include Université Paul Cézanne Aix-Marseille III & Complutense University of Madrid.
Papers
More filters
Journal ArticleDOI
A computational study on [(PH2X)2]·+ homodimers involving intermolecular two-center three-electron bonds
TL;DR: In this article, a computational study at CCSD(T) theoretical level has been carried out on radical cation [(PH2X)2]·+ homodimers.
Journal ArticleDOI
A Theoretical Study of the 1,2,3-Triazoloiminodiazomethane Isomerism in the Gas Phase
Journal ArticleDOI
Lipase-mediated acylation of acyclonucleosides. application to novel fluoroquinolone derivatives
TL;DR: A novel kind of acyclonucleoside derived from fluoroquinolones is described and Lipases have been used to prepare acyl derivatives under mild conditions and in good yields.
Journal ArticleDOI
Effect of fluoro substituents and central atom nature on chiral derivatives of bisdiphenylborates and isoelectronic structures
TL;DR: In this article, a DFT study of the geometrical, electronic, and energetic parameters of homo- and heterochiral complexes of fluoro derivatives of diphenylborate and isoelectronic structures where the central atom has been substituted by carbon and nitrogen has been carried out.
Journal ArticleDOI
HC⋮P and H3C−C⋮P as Proton Acceptors in Protonated Complexes Containing Two Phosphorus Bases: Structures, Binding Energies, and Spin−Spin Coupling Constants
TL;DR: In this article, the structures and binding energies of cationic complexes involving protonated sp, sp2, and sp3 phosphorus bases as proton donor ions and the sp-hybridized phosphorus bases H−C⋮P and H3C−C³P as acceptors were investigated at MP2/aug'-cc-pVTZ level.