Publicacións (82) Publicacións nas que participase algún/ha investigador/a

2015

  1. 3-(Pyridin-2-yl)imidazo[1,5-a]pyridine (Pyridylindolizine) as Ligand in Complexes of Transition and Main-Group Metals

    European Journal of Inorganic Chemistry, Vol. 2015, Núm. 29, pp. 4921-4934

  2. 7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes

    Organic and Biomolecular Chemistry, Vol. 13, Núm. 34, pp. 9118-9126

  3. A DFT approach to the charge transport related properties in columnar stacked π-conjugated N-heterocycle cores including electron donor and acceptor units

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 1, pp. 605-618

  4. A density functional theory insight towards the rational design of ionic liquids for SO2 capture

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 20, pp. 13559-13574

  5. A detailed study of cholinium chloride and levulinic acid deep eutectic solvent system for CO2capture via experimental and molecular simulation approaches

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 32, pp. 20941-20960

  6. A theoretical study on mitigation of CO2 through advanced deep eutectic solvents

    International Journal of Greenhouse Gas Control, Vol. 39, pp. 62-73

  7. AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal

    Journal of Molecular Spectroscopy, Vol. 312, pp. 13-21

  8. Accurate equilibrium structures for piperidine and cyclohexane

    Journal of Physical Chemistry A, Vol. 119, Núm. 9, pp. 1486-1493

  9. Accurate spectroscopy of polycyclic aromatic compounds: From the rotational spectrum of fluoren-9-one in the millimeter wave region to its infrared spectrum

    Journal of Chemical Physics, Vol. 142, Núm. 2

  10. Acrylic acid (CH 2CHCOOH): The rotational spectrum in the millimetre range up to 397 GHz

    Molecular Physics, Vol. 113, Núm. 15-16, pp. 2290-2295

  11. Adsorption of choline benzoate ionic liquid on graphene, silicene, germanene and boron-nitride nanosheets: a DFT perspective

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 25, pp. 16315-16326

  12. Amidino ligands obtained from the coupling of 1-methylcytosine and nitrile: A new method to incorporate biomolecules into luminescent Re(CO)3 complexes

    Dalton Transactions, Vol. 44, Núm. 40, pp. 17478-17481

  13. An approach for the rationalization of melting temperature for deep eutectic solvents from DFT

    Chemical Physics Letters, Vol. 634, pp. 151-155

  14. Assembling nonplanar polyaromatic units by click chemistry. Study of multicorannulene systems as host for fullerenes

    Organic Letters, Vol. 17, Núm. 11, pp. 2578-2581

  15. Assessment of DFT methods for studying acid gas capture by ionic liquids

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 40, pp. 26875-26891

  16. Asymmetric organocatalysts supported on vinyl addition polynorbornenes for work in aqueous media

    Catalysis Science and Technology, Vol. 5, Núm. 2, pp. 754-764

  17. Characterization of Amide-Alkanediol Intermolecular Interactions

    Journal of Physical Chemistry B, Vol. 119, Núm. 13, pp. 4725-4738

  18. ChemInform Abstract: Efficient Access to Polysubstituted Tetrahydrofurans by Electrophilic Cyclization of Vinylsilyl Alcohols.

    ChemInform, Vol. 46, Núm. 41, pp. no-no

  19. ChemInform Abstract: The Stille Reaction, 38 Years Later

    ChemInform, Vol. 46, Núm. 29, pp. no-no

  20. Chiral recognition and atropisomerism in the sevoflurane dimer

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 28, pp. 18282-18287