J. Elguero

Water Clusters: Towards an Understanding Based on First Principles of Their Static and Dynamic Properties

Jesús M. Ugalde, Ibón Alkorta, J. Elguero · Angewandte Chemie International Edition · 2000 · 243 citations

Engineering, Water Clusters, Chemistry +16

Basicity of C-substituted pyrazoles in the gas phase: an experimental (ICR) and theoretical study

J.‐L. M. Abboud, Pilar Cabildo, T. Andrew Canada et al. · The Journal of Organic Chemistry · 1992 · 68 citations

Theoretical Study, Heterocyclic, Gas Phase +8

The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics)

A.L. Llamas-Saiz, C. Foces‐Foces, F. H. Cano et al. · Acta Crystallographica Section B Structural Science · 1994 · 47 citations

X-ray Crystallography, Engineering, 4-Nitropyrazole Derivatives +17

Structure of NH-benzazoles (1H-benzimidazoles, 1H- and 2H-indazoles, 1H- and 2H-benzotriazoles)

J. Elguero, Ibón Alkorta, Rosa M. Claramunt et al. · Chemistry of Heterocyclic Compounds · 2013 · 30 citations

Heterocyclic, Organic Chemistry, Chemistry +3

Nature of the hydrogen bond: crystallographic <i>versus</i> theoretical description of the O-H^...N(<i>sp</i> ²) hydrogen bond

A.L. Llamas-Saiz, C. Foces‐Foces, Otília Mó et al. · Acta Crystallographica Section B Structural Science · 1992 · 21 citations

Engineering, Scf Calculations, Natural Sciences +12