Publicaciones en colaboración con investigadores/as de Instituto de Química Médica (70)

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

2017

  1. 19F-NMR Diastereotopic Signals in Two N-CHF2 Derivatives of (4S, 7R)-7, 8, 8-Trimethyl-4, 5, 6, 7-tetrahydro-4, 7-methano-2H-indazole

    Molecules, Vol. 22, Núm. 11

2015

  1. A theoretical and experimental study of the NMR spectra of 4,5,6,7-tetrafluorobenzazoles with special stress on PCM calculations of chemical shifts

    Magnetic Resonance in Chemistry, Vol. 53, Núm. 5, pp. 353-362

  2. Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modeling

    Solid State Nuclear Magnetic Resonance, Vol. 65, pp. 49-63

2014

  1. Chiral self-assembly of enantiomerically pure (4S,7R)-campho[2,3-c]pyrazole in the solid state: A vibrational circular dichroism (VCD) and computational study

    Tetrahedron Asymmetry, Vol. 25, Núm. 6-7, pp. 507-515

  2. Mechano heterocyclic chemistry: Grinding and Ball Mills

    Advances in Heterocyclic Chemistry (Academic Press Inc.), pp. 117-143

2013

  1. A facile method to determine the absolute structure of achiral molecules: Supramolecular-tilt structures

    Chemistry - A European Journal, Vol. 19, Núm. 19, pp. 6044-6051

  2. A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole- 4-carboxylato}sodium dihydrate

    Acta Crystallographica Section C: Crystal Structure Communications, Vol. 69, Núm. 9, pp. 972-976

  3. Self-assembly structures of 1H-indazoles in the solution and solid phases: A vibrational (IR, FIR, Raman, and VCD) Spectroscopy and computational study

    ChemPhysChem, Vol. 14, Núm. 14, pp. 3355-3360

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

    Chemistry of Heterocyclic Compounds, Vol. 49, Núm. 1, pp. 177-202

  5. The structure and dynamic properties of 1H-pyrazole-4-carboxylic acids in the solid state

    Zeitschrift fur Physikalische Chemie, Vol. 227, Núm. 6-7, pp. 841-856

  6. Theoretical and experimental NMR Study of a series of five Nitrobenzene-1,2-Diamines

    Spectroscopy Letters, Vol. 46, Núm. 2, pp. 91-99

2012

  1. The chiral structure of 1H-indazoles in the solid state: A crystallographic, vibrational circular dichroism and computational study

    New Journal of Chemistry, Vol. 36, Núm. 3, pp. 749-758

2011

  1. Crystal and molecular structure of three biologically active nitroindazoles

    Journal of Molecular Structure, Vol. 985, Núm. 1, pp. 75-81

  2. Synthesis and biological evaluation of indazole derivatives

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 4, pp. 1439-1447

2010

  1. A theoretical multinuclear NMR study of pyrazolylborates

    Heterocyclic Communications, Vol. 16, Núm. 4-6, pp. 261-268

  2. Fast degenerate double proton transfer in the solid state between two indazolinone tautomers

    CrystEngComm, Vol. 12, Núm. 12, pp. 4052-4055

  3. Symmetrization of cationic hydrogen bridges of protonated sponges induced by solvent and counteranion interactions as revealed by NMR spectroscopy

    Chemistry - A European Journal, Vol. 16, Núm. 5, pp. 1679-1690

  4. The structures of chiral and racemate campho[2,3-c]pyrazole: A combined crystallographic, solid-state NMR and computational study

    Journal of Molecular Structure, Vol. 965, Núm. 1-3, pp. 74-81