Publicacións en colaboración con investigadores/as de Instituto de Química Médica (283)

2024

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

    Journal of Physical Organic Chemistry

  2. Hydrogen and halogen rearrangements in imidazoles: Hydrogen, fluorine, chlorine and bromine shifts

    Arkivoc, Vol. 2024, Núm. 1

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

    Arkivoc, Vol. 2024, Núm. 5

2023

  1. X-ray Molecular Structures of 23 N1-4-Nitrophenyl, 2,4-Dinitrophenyl, and 2,4,6-Trinitrophenyl-2-pyrazolines

    Crystal Growth and Design, Vol. 23, Núm. 2, pp. 1145-1161

2022

  1. 1H-Benzo[de]cinnolines: an interesting class of heterocycles

    Arkivoc, Vol. 2022, Núm. 1, pp. 165-185

  2. A theoretical study of dynamic processes observed in trimethylsilyl-1H-pyrazoles: prototropy and silylotropy

    Theoretical Chemistry Accounts, Vol. 141, Núm. 12

  3. 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

  4. Pyrazaboles and Pyrazolylboranes

    Coordination Chemistry Reviews, Vol. 473

  5. Study of the Addition Mechanism of 1 H-Indazole and Its 4-, 5-, 6-, and 7-Nitro Derivatives to Formaldehyde in Aqueous Hydrochloric Acid Solutions

    Journal of Organic Chemistry, Vol. 87, Núm. 9, pp. 5866-5881

2021

  1. 3-Pyrazolines (2,3-dihydro-1H-pyrazoles): Synthesis, reactivity, and physical and biological properties

    Arkivoc, Vol. 2021, Núm. 9, pp. 75-129

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

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

  3. A structural analysis of 2,5-diaryl-4H-2,4-dihydro-3H-1,2,4-triazol-3-ones: NMR in the solid state, X-ray crystallography, and GIPAW calculations

    Magnetic Resonance in Chemistry, Vol. 59, Núm. 4, pp. 423-438

  4. Conformational analysis of 2,5-diaryl-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-ones: Multinuclear NMR and DFT calculations

    Journal of Heterocyclic Chemistry, Vol. 58, Núm. 5, pp. 1130-1140

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

  2. A theoretical and spectroscopic (NMR and IR) study of indirubin in solution and in the solid state

    Journal of Physical Organic Chemistry, Vol. 33, Núm. 4

  3. Perimidines: A unique π-amphoteric heteroaromatic system

    Russian Chemical Reviews, Vol. 89, Núm. 11, pp. 1204-1260

  4. Regiospecific synthesis and structural studies of 3,5-dihydro-4h-pyrido[2,3-b][1,4]diazepin-4-ones and comparison with 1,3-dihydro-2h-benzo[b][1,4]diazepin-2-ones

    ACS Omega, pp. 25408-25422

  5. Theoretical and spectroscopic characterization of API-related azoles in solution and in solid state

    Current Pharmaceutical Design, Vol. 26, Núm. 38, pp. 4847-4857

2019

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

    Tetrahedron, Vol. 75, Núm. 48

  2. A theoretical NMR study of polymorphism in crystal structures of azoles and benzazoles

    Magnetic Resonance in Chemistry, Vol. 57, Núm. 6, pp. 275-284