Publications by the researcher in collaboration with Maria Carmen Barrientos Benito (123)

2024

  1. Structure and Spectroscopic Insights for CH3PCO Isomers: A High-Level Quantum Chemical Study

    Journal of Physical Chemistry A, Vol. 128, Núm. 20, pp. 4083-4091

2023

  1. Structure, spectroscopic signatures, and formation of hydroxy-azirine: a potential interstellar prebiotic molecule

    Monthly Notices of the Royal Astronomical Society, Vol. 520, Núm. 2, pp. 1659-1671

2022

  1. Computational study on the affinity of potential drugs to SARS-CoV-2 main protease

    Journal of Physics Condensed Matter, Vol. 34, Núm. 29

  2. Structure and Spectroscopic Signatures of Interstellar Sodium Isocyanate Isomers

    Astrophysical Journal, Vol. 941, Núm. 1

2020

  1. Amino acetaldehyde conformers: Structure and spectroscopic properties

    Monthly Notices of the Royal Astronomical Society, Vol. 492, Núm. 2, pp. 1827-1833

  2. Formation of interstellar cyanoacetamide: A rotational and computational study

    Astronomy and Astrophysics, Vol. 644

  3. Structure and Spectroscopic Properties of Hydrocalcium Isocyanide Isomers: Plausible Astronomical Ca-bearing Molecules

    Astrophysical Journal, Vol. 899, Núm. 2

2019

  1. Alkaline and alkaline-earth cyanoacetylides: A combined theoretical and rotational spectroscopic investigation

    Journal of Chemical Physics, Vol. 151, Núm. 5

  2. Formation of protonated glycine isomers in the interstellar medium

    ACS Earth and Space Chemistry, Vol. 3, Núm. 7, pp. 1170-1181

  3. Spectroscopic parameters of HTiCN/HTiNC: New titanium compounds of astrochemical interest

    Astrophysical Journal, Vol. 871, Núm. 2

2018

  1. Computational study of the formation of prebiotic molecules in the interstellar medium through gas-phase reactions

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

  2. 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

  3. Structure and spectroscopic properties of imine acetaldehyde: A possible interstellar molecule

    Monthly Notices of the Royal Astronomical Society, Vol. 478, Núm. 3, pp. 3042-3048

2017

  1. Complex Organic Molecules Formation in Space Through Gas Phase Reactions: A Theoretical Approach

    Astrophysical Journal, Vol. 836, Núm. 2

  2. Metallic monoboronyl compounds: Prediction of their structure and comparison with the cyanide analogues

    Journal of Computational Chemistry, Vol. 38, Núm. 11, pp. 807-815

  3. Prebiotic molecules formation through the gas-phase reaction between HNO and CH 2 CHOH 2 +

    Astronomy and Astrophysics, Vol. 603

  4. Structure and Spectroscopic Properties of [Mg,C,N,O] Isomers: Plausible Astronomical Molecules

    ACS Earth and Space Chemistry, Vol. 1, Núm. 3, pp. 158-167

2016

  1. Metallic cyanoacetylides of copper, silver and gold: Generation and structural characterization

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 41, pp. 28538-28547

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

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

  3. PREDICTION of the SPECTROSCOPIC PARAMETERS of NEW IRON COMPOUNDS: HYDRIDE of IRON CYANIDE/ISOCYANIDE, HFeCN/HFeNC

    Astrophysical Journal, Vol. 828, Núm. 1