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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.

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Five different fluxional processes in polyfluorophenyl palladium(II) complexes with 2,4,6-tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine. The driving effect of the solvent.

M. Carmen Carrión, +7 more
- 16 Jan 2003 - 
TL;DR: The polydentate N-donor ligand 2,4,6-tris(3,5-dimethylpyrazol-1-yl)-1,3, 5-triazine (Me(2)-TpzT) has been used to synthesize the new palladium derivatives and exhibits a rich dynamic behavior, including three metallotropic processes (metal-hurdling, 1,4-metallotropic shifts, and an intermolecular process
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Carbon acidity and ring strain: A hybrid HF-DFT approach (Becke3LYP/6–311++G∗∗)

Ibon Alkorta, +1 more
- 14 Jul 1997 - 
TL;DR: Hybrid HF-DFT calculations have been carried out on pairs of neutral molecules and their conjugated bases in order to determine their gas-phase acidities (ΔH values) as mentioned in this paper.
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Effect of the replacement of a methyl by a trifluoromethyl group on the acid-base properties of pyrazoles

José Elguero, +8 more
- 01 Jun 1991 - 
TL;DR: In this paper, experimental determinations have been carried out of the thermodynamic basicities and acidities in the gas phase and in aqueous solution of pyrazoles substituted at positions 3 and 5 with methyl and trifluoromethyl groups.
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Application of Free-Wilson matrices to the analysis of the tautomerism and aromaticity of azapentalenes: a DFT study

Ibon Alkorta, +2 more
- 21 Apr 2008 - 
TL;DR: The tautomerism and aromaticity of 44 neutral and 60 protonated azapentalenes were studied in this article, based on the calculated relative energies of different tautomers, from two to three and nine nitrogen atoms.
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Synthesis, structural determination and dynamic behavior of 2-chloro-4,6-bis(pyrazolylamino)-1,3,5-triazines

Angel Díaz-Ortiz, +7 more
- 04 Dec 2003 - 
TL;DR: In this paper, a series of 2-chloro-4,6-bis(pyrazolylamino)-1,3,5-triazines with applications in crystal engineering have been prepared.