Publicaciones en colaboración con investigadores/as de Instituto de Estructura de la Materia (16)

2022

  1. Theoretical Spectroscopic Study of Two Ketones of Atmospheric Interest: Methyl Glyoxal (CH3COCHO) and Methyl Vinyl Ketone (CH3COCH═CH2)

    Journal of Physical Chemistry A, Vol. 126, Núm. 40, pp. 7230-7241

  2. Theoretical spectroscopic study of acetyl (CH3CO), vinoxy (CH2CHO), and 1-methylvinoxy (CH3COCH2) radicals. Barrierless formation processes of acetone in the gas phase

    Open Research Europe, Vol. 1

2019

  1. New Spectral Characterization of Dimethyl Ether Isotopologues CH 3 OCH 3 and 13 CH 3 OCH 3 in the THz Region

    Astrophysical Journal, Supplement Series, Vol. 241, Núm. 1

  2. Ab initio spectroscopic characterization of the radical CH3OCH2 at low temperatures

    Journal of Chemical Physics, Vol. 150, Núm. 19

  3. Competitive Gas Phase Reactions for the Production of Isomers C2O2H4. Spectroscopic Constants of Methyl Formate

    Journal of Physical Chemistry A, Vol. 123, Núm. 45, pp. 9658-9668

2014

  1. Accurate spectroscopic characterization of ethyl mercaptan and dimethyl sulfide isotopologues: A route toward their astrophysical detection

    Astrophysical Journal, Vol. 796, Núm. 1

  2. Simulation of the Raman spectra of CO2: Bridging the gap between algebraic models and experimental spectra

    Journal of Chemical Physics, Vol. 141, Núm. 5

  3. Theoretical spectroscopic characterization at low temperatures of S-methyl thioformate and O-methyl thioformate

    Journal of Chemical Physics, Vol. 141, Núm. 10

  4. Theoretical spectroscopic characterization at low temperatures of detectable sulfur-organic compounds: Ethyl mercaptan and dimethyl sulfide

    Journal of Chemical Physics, Vol. 140, Núm. 12

  5. Vibrational energies of monodeuterated dimethyl ether based on high level ab initio potential energy surfaces

    Chemical Physics Letters, Vol. 592, pp. 200-205

2013

  1. Highly correlated ab initio study of the far infrared spectra of methyl acetate

    Journal of Chemical Physics, Vol. 138, Núm. 4

  2. Highly correlated ab initio study of the low frequency modes of propane and various monosubstituted isotopologues containing D and 13C

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 25, pp. 10258-10269

2012

  1. A study of the Raman spectrum of CO 2 using an algebraic approach

    Chemical Physics Letters, Vol. 554, pp. 208-213

  2. CCSD(T) study of CD3-O-CD3 and CH3-O- CD3 far-infrared spectra

    Journal of Physical Chemistry A, Vol. 116, Núm. 25, pp. 6901-6910

  3. Raman and infrared spectra of dimethyl ether 13C-isotopologue (CH3O13CH3) from a CCSD(T) potential energy surface

    Journal of Molecular Spectroscopy, Vol. 279, Núm. 1, pp. 3-11

2011

  1. CCSD(T) study of dimethyl-ether infrared and Raman spectra

    Journal of Physical Chemistry A, Vol. 115, Núm. 46, pp. 13573-13580