Publicacions en col·laboració amb investigadors/es de Instituto de Química Física Rocasolano (83)

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

2018

  1. 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

2016

  1. 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

2013

  1. A silver complex of chloroquine: Synthesis, characterization and structural properties

    New Journal of Chemistry, Vol. 37, Núm. 5, pp. 1391-1401

  2. 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

2010

  1. Computational thermochemistry of six ureas, imidazolidin-2-one, N, N′-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5′-diethylbarbituric acid), and 3,4,4′-trichlorocarbanilide, with an extension to related compounds

    Journal of Physical Chemistry A, Vol. 114, Núm. 34, pp. 9237-9245

  2. Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4′-trichlorocarbanilide

    Journal of Chemical Thermodynamics, Vol. 42, Núm. 4, pp. 536-544

2009

  1. Structural studies of cyclic ureas: 3. Enthalpy of formation of barbital

    Journal of Chemical Thermodynamics, Vol. 41, Núm. 12, pp. 1400-1407

2008

  1. Structural studies of cyclic ureas: 1. Enthalpies of formation of imidazolidin-2-one and N,N′-trimethyleneurea

    Journal of Chemical Thermodynamics, Vol. 40, Núm. 3, pp. 386-393

  2. Structural studies of cyclic ureas: 2. Enthalpy of formation of parabanic acid

    Journal of Chemical Thermodynamics, Vol. 40, Núm. 9, pp. 1378-1385

2006

  1. Substituent effects on enthalpies of formation of nitrogen heterocycles: 2-substituted benzimidazoles and related compounds

    Journal of Physical Chemistry A, Vol. 110, Núm. 7, pp. 2535-2544

2005

  1. Thermochemical properties of two benzimidazole derivatives: 2-Phenyl- and 2-benzylbenzimidazole

    Journal of Chemical Thermodynamics, Vol. 37, Núm. 11, pp. 1168-1176

  2. Why does pivalaldehyde (trimethylacetaldehyde) unexpectedly seem more basic than 1-adamantanecarbaldehyde in the gas phase? FT-ICR and high-level ab initio studies

    Chemistry - A European Journal, Vol. 11, Núm. 6, pp. 1826-1832

2004

  1. Experimental thermochemical study of two 2-alkylbenzimidazole isomers (alkyl = propyl and isopropyl)

    Journal of Chemical Thermodynamics, Vol. 36, Núm. 6, pp. 533-539

  2. Substituent and ring effects on enthalpies of formation: 2-methyl- and 2-ethylbenzimidazoles versus benzene-and imidazole-derivatives

    Molecular Physics, Vol. 102, Núm. 7, pp. 711-721

2003

  1. Substituent effects on enthalpies of formation: Benzene derivatives

    Journal of Physical Chemistry A, Vol. 107, Núm. 3, pp. 366-371

  2. The structure of tris(3′,5′-dimethylpyrazol-1-YL)-s-triazine and its use as a ligand in coordination chemistry

    Khimiya Geterotsiklicheskikh Soedinenii, pp. 1584-1591

2002

  1. 1-Benzoylazoles: An experimental (NMR and crystallography) and theoretical study

    Journal of Molecular Structure, Vol. 605, Núm. 2-3, pp. 199-212

  2. Tautomerism in the solid state and in solution of a series of 6-aminofulvene-1-aldimines

    Journal of Organic Chemistry, Vol. 67, Núm. 5, pp. 1462-1471