Publicaciones en colaboración con investigadores/as de Instituto de Química Médica (91)

2024

  1. Addition reaction of azoles to acetone-d6: NMR and computational studies

    Journal of Physical Organic Chemistry

  2. Pyrazolidines: synthesis, reactivity, physical and biological properties

    Arkivoc, Vol. 2024, Núm. 5

2022

  1. Determination of the tautomerism of albendazole desmotropes using solution and solid state NMR together with DFT theoretical calculations, both energies and chemical shifts

    Journal of Molecular Structure, Vol. 1261

  2. Pyrazaboles and Pyrazolylboranes

    Coordination Chemistry Reviews, Vol. 473

2021

  1. A 13C chemical shifts study of iodopyrazoles: experimental results and relativistic and non-relativistic calculations

    Structural Chemistry, Vol. 32, Núm. 3, pp. 925-937

2020

  1. A GIPAW versus GIAO-ZORA-SO study of 13C and 15N CPMAS NMR chemical shifts of aromatic and heterocyclic bromo derivatives

    Solid State Nuclear Magnetic Resonance, Vol. 108

2019

  1. A structural study of new tetrakis(1H-pyrazol-1-yl)methanes

    Tetrahedron, Vol. 75, Núm. 48

  2. An example of polynomial expansion: The reaction of 3(5)-methyl-1H-pyrazole with chloroform and characterization of the four isomers

    Molecules, Vol. 24, Núm. 3

  3. Multinuclear NMR spectra and GIAO/DFT calculations of N-benzylazoles and N-benzylbenzazoles

    Structural Chemistry, Vol. 30, Núm. 5, pp. 1729-1735

  4. Synthesis, structure and NMR study of fluorinated isoxazoles derived from hemi-curcuminoids

    Journal of Fluorine Chemistry, Vol. 219, pp. 39-49

2018

  1. Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines

    Journal of Molecular Structure, Vol. 1155, pp. 205-214

  2. The structure of N-benzylazoles from pyrrole to carbazole: Geometries and energies

    Indian Journal of Heterocyclic Chemistry, Vol. 28, Núm. 1, pp. 1-10

  3. The structure of fosfomycin salts in solution and in the solid state by nuclear magnetic resonance spectroscopy and DFT calculations

    Tetrahedron, Vol. 74, Núm. 29, pp. 3937-3942

  4. The structure of four thallium tris(1H-pyrazol-1-yl)hydroborates in the solid state by X-ray crystallography and in solution by NMR and DFT-GIAO calculations

    Inorganica Chimica Acta, Vol. 483, pp. 402-410

2017

  1. Curcumin Related 1,4-Diazepines: Regioselective Synthesis, Structure Analysis, Tautomerism, NMR Spectroscopy, X-ray Crystallography, Density Functional Theory and GIAO Calculations

    ChemistrySelect, Vol. 2, Núm. 13, pp. 3732-3738

2016

  1. A theoretical and experimental NMR study of BODIPY 493/503: difluoro{2-[1-(3,5-dimethyl-2H-pyrrol-2-ylidene-N)ethyl]-3,5-dimethyl-1H-pyrrolato-N}boron

    Magnetic Resonance in Chemistry

  2. The structure of β-diketones related to curcumin determined by X-ray crystallography, NMR (solution and solid state) and theoretical calculations

    Structural Chemistry, Vol. 27, Núm. 2, pp. 705-730

  3. The structures of two scorpionates: Thallium tetrakis(3-phenyl-1H-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1H-pyrazol-1-yl)borate

    Acta Crystallographica Section C: Structural Chemistry, Vol. 72, pp. 819-825

2015

  1. A multinuclear magnetic resonance study of fluoro derivatives of hydroxybenzaldehydes

    Magnetic Resonance in Chemistry, Vol. 53, Núm. 8, pp. 624-631

  2. An NMR and computational study of azolo[a]pyrimidines with special emphasis on pyrazolo[1,5-a]pyrimidines

    Journal of Heterocyclic Chemistry, Vol. 52, Núm. 2, pp. 336-345