Publicaciones en las que colabora con Maria Carmen Barrientos Benito (35)

2018

  1. Structural Trends in Monoboronyl Compounds: Analysis of the Interaction of Second-Row Elements with BO

    Journal of Physical Chemistry A, Vol. 122, Núm. 1, pp. 398-409

2016

  1. Molecular Structure and Bonding in Plutonium Carbides: A Theoretical Study of PuC3

    Journal of Physical Chemistry A, Vol. 120, Núm. 14, pp. 2232-2239

2014

  1. Halogen-abstraction reactions from chloromethane and bromomethane molecules by alkaline-earth monocations

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 30, pp. 16121-16136

2013

  1. Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride

    Journal of Physical Chemistry A, Vol. 117, Núm. 33, pp. 7742-7753

  2. Reactivity of first-row transition metal monocations (Sc+, Ti+, V+, Zn+) with methyl fluoride: A computational study

    Journal of Physical Chemistry A, Vol. 117, Núm. 14, pp. 2932-2943

2012

  1. Gas-phase synthesis of precursors of interstellar glycine: A computational study of the reactions of acetic acid with hydroxylamine and its ionized and protonated derivatives

    Astrophysical Journal, Vol. 748, Núm. 2

  2. Small carbides of third-row main group elements: Structure and bonding in C 3X compounds (X = K-Br)

    Physical Chemistry Chemical Physics, Vol. 14, Núm. 43, pp. 14923-14932

2011

  1. Structure and stability of neutral cyanide complexes of copper and zinc

    Chemical Physics Letters, Vol. 504, Núm. 4-6, pp. 125-129

  2. Theoretical study of the C-F bond activation in methyl fluoride by alkaline-earth metal monocations

    Theoretical Chemistry Accounts, Vol. 128, Núm. 4, pp. 609-618

2010

  1. A computational study of arsenic dicarbide (C2As)

    Chemical Physics Letters, Vol. 485, Núm. 4-6, pp. 286-289

  2. Could the reactions of formic acid with CH3NH2+/CH3NH3+ produce protonated glycine?

    International Journal of Mass Spectrometry, Vol. 295, Núm. 1-2, pp. 21-25

  3. Neutral cyanide complexes of iron: Structure and stability

    Chemical Physics Letters, Vol. 500, Núm. 1-3, pp. 9-13

  4. Structure and bonding in third-row main group dicarbides C2X (X=K-Br)

    Journal of Chemical Physics, Vol. 133, Núm. 12

  5. The reaction between NH+3and CH3COOH: A possible process for the formation of glycine precursors in the interstellar medium

    Astronomy and Astrophysics, Vol. 516, Núm. 25

2009

  1. Cyanide complexes of Ti(IV): A computational study

    Journal of Chemical Physics, Vol. 131, Núm. 9

  2. Gas-phase reaction between calcium monocation and fluoromethane: Analysis of the potential energy hypersurface and kinetics calculations

    Journal of Chemical Physics, Vol. 131, Núm. 14

  3. Polyisocyanides of titanium

    Journal of Physical Chemistry A, Vol. 113, Núm. 8, pp. 1574-1577

  4. Tability of protonated and ionized hydroxylamine in the interstellar medium

    Chemical Physics Letters, Vol. 476, Núm. 4-6, pp. 174-177

2008

  1. Gas-phase reaction of NH2+ with acetic acid: Implications in astrochemistry

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 12, pp. 2085-2093

2007

  1. A theoretical study of the [FeCN]+ system: Cyanide-isocyanide competition and isomerization barrier

    Chemical Physics Letters, Vol. 445, Núm. 1-3, pp. 22-27