Department of Molecular Physics
Dept. Molecular Physics
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scientific papers
 

Publications 2019

  • “ DFT studies of single and multiple molecular adsorption of CH4, SF6 and H2O in Zeolitic-Imidazolate Framework (ZIF-4 and ZIF-6) ”
    N.E.H. Bensiradj, V. Timón, R. Boussessi, S. Dalbouha, and M.L. Senent.
    Inorganica Chimica Acta 490, 272 (2019)
    DOI: 10.1016/j.ica.2019.03.016

  • “ The millimeter-wave spectrum and astronomical search of succinonitrile and its vibrational excited states ”
    C. Cabezas, C. Bermúdez, J. D. Gallego, B. Tercero, J. M. Hernández, I. Tanarro, V. J. Herrero, J. L. Doménech, J. Cernicharo.
    Astronomy and Astrophysics, A&A 629, A35 (2019)
    DOI: 10.1051/0004-6361/201935899

  • “ Broad band high resolution rotational spectroscopy for Laboratory Astrophysics ”
    J. Cernicharo, J. D. Gallego, J. A. López-Pérez, F. Tercero, I. Tanarro, F. Beltrán, P. de Vicente, K. Lauwaet, B. Alemán, E. Moreno, V. J. Herrero, J. L. Doménech, S. I. Ramírez, C. Bermúdez, R. J. Peláez, M. Patino-Esteban, I. López-Fernández, S. García-Álvaro, P. García-Carreño, C. Cabezas, I. Malo, R. Amils, J. Sobrado, C. Diez-González, J.M. Hernandéz, B. Tercero, G. Santoro, L. Martínez, M. Castellanos, B. Vaquero Jiménez, J. R. Pardo, L. Barbas, J.A. López-Fernández, B. Aja, A. Leuther, J. A. Martín-Gago.
    Astronomy and Astrophysics, A&A 626, A34 (2019)
    DOI: 10.1051/0004-6361/201935197

  • “ Anomalous mechanical behavior of the deltic, squaric and croconic cyclic oxocarbon acids ”
    Francisco Colmenero.
    Materials Research Express 6 045610 (2019)
    DOI: 10.1088/2053-1591/aaf9d7

  • “ Addendum: anomalous mechanical behavior of the deltic, squaric and croconic cyclic oxocarbon acids ”
    Francisco Colmenero.
    Mater. Res. Express 6 069401 (2019)
    DOI: 10.1088/2053-1591/ab0cc5

  • “ Mechanical Properties of Anhydrous Oxalic Acid and Oxalic Acid Dihydrate ”
    Francisco Colmenero.
    Physical Chemistry Chemical Physics 21, 2673-2690 (2019)
    DOI: 10.1039/C8CP07188H

  • “ Negative Area Compressibility in Oxalic Acid Dihydrate ”
    Francisco Colmenero.
    Materials Letters 245, 25-28 (2019)
    DOI: 10.1016/j.matlet.2019.02.077

  • “ Silver Oxalate: Mechanical Properties and Extreme Negative Mechanical Phenomena ”
    Francisco Colmenero.
    Advanced Theory and Simulations (2019)
    DOI: 10.1002/adts.201900040

  • “ Structural, spectroscopic, and thermodynamic characterization of ammonium oxalate monohydrate mineral using theoretical solid-state methods ”
    Francisco Colmenero.
    Journal of Physics and Chemistry of Solids 125 (2019) 31-42
    DOI: 10.1016/j.jpcs.2018.10.004

  • “ Negative linear compressibility in uranyl squarate monohydrate ”
    Francisco Colmenero, Joaquin Cobos and Vicente Timón
    Journal of Physics: Condensed Matter (2019)
    DOI: 10.1088/1361-648X/ab0312

  • “ Periodic density functional theory study of the Raman spectrum of the hydrated uranyl oxyhydroxide mineral becquerelite ”
    Francisco Colmenero, Joaquin Cobos and Vicente Timón
    Theoretical Chemistry Accounts 138 (2019) 46
    DOI: 10.1007/s00214-019-2437-y

  • “ Thermodynamic, Raman Spectroscopic and UV-Visible Optical Characterization of the Deltic, Squaric and Croconic Cyclic Oxocarbon Acids ”
    Francisco Colmenero and Rafael Escribano
    Journal of Physical Chemistry A, 2019, 123, 4241–4261
    DOI: 10.1021/acs.jpca.9b01354

  • “ Crystal structure, hydrogen bonding, mechanical properties and Raman spectrum of the lead uranyl silicate monohydrate mineral kasolite ”
    Francisco Colmenero, Jakub Plášil, Joaquín Cobos, Jiří Sejkora, Vicente Timón, Jiří Čejka and Laura J. Bonales
    RSC Advances, 2019, 9, 15323-15334
    DOI: 10.1039/C9RA02931A

  • “ Characterization of the Copper-Uranyl Tetrahydroxide Mineral Vandenbrandeite ”
    Francisco Colmenero, Jakub Plášil, Joaquín Cobos, Jiří Sejkora, Vicente Timón, Jiří Čejka, Ana María Fernández and Václav Petříček
    RSC Advances, 2019, 9, 40708-40726
    DOI: 10.1039/C9RA09047A

  • “ The Layered Uranyl Silicate Mineral Uranophane-β: Crystal Structure, Mechanical Properties, Raman Spectrum and Comparison with the α-Polymorph ”
    Francisco Colmenero, Jakub Plášil and Jiří Sejkora
    Dalton Transactions, 2019, 48, 16722-16736
    DOI: 10.1039/C9DT03256H

  • “ Prediction of the near-IR spectra of ices by ab initio molecular dynamics ”
    Rafael Escribano, Pedro C. Gómez, Belén Maté, Germán Molpeceres and Emilio Artacho
    Physical Chemistry Chemical Physics, 2019, 21, 9433 - 9440
    DOI: 10.1039/C9CP00857H

  • “ A theoretical approach of the ethanol adsorption on Au(100), Au(110) and Au(111) surfaces ”
    J. Fallaque-Najar, J.C. Morales-Gomero amd V. Timon
    PSurface Science 686, 121458 (2019)
    DOI: 10.1016/j.susc.2019.121458

  • “ New Spectral Characterization of Dimethyl Ether Isotopologues CH3OCH3 and 13CH3OCH3 in the THz Region. ”
    J. M. Fernández, G. Tejeda, M. Carvajal, and M. L. Senent
    The Astrophysical Journal Supplement Series, Volume 241, Number 1 (2019)
    DOI: 10.3847/1538-4365/ab041e

  • “ Inelastic Collisions of O2 with He at Low Temperatures ”
    F. Gámez, J. M. Fernández, E. Moreno, G. Tejeda, M. I. Hernández, and S. Montero
    Journal of Physical Chemistry A (2019), 123, 8496-8505
    DOI: 10.1021/acs.jpca.9b06165    DIGITAL.CSIC

  • “ Desorption of volatile molecules from the surface of interstellar carbonaceous dust analogues ”
    Víctor J. Herrero, Belén Maté, Isabel Tanarro, Miguel Jiménez-Redondo, Ramón J. Peláez and Rafael Escribano
    Laboratory Astrophysics: from Observations to Interpretation. F. Salama & H. Linnartz, eds. Proceedings of IAU Symposium No. 350, 377-378 (2019)
    DOI: 10.1017/S1743921319007142

  • “ Unexpected dynamical effects change the lambda-doublet propensity in the tunneling región for the O(3P)+H2 reaction ”
    P. G. Jambrina, A. Zanchet, M. Menéndez, V. J. Herrero and F. J. Aoiz.
    Physical Chemistry Chemical Physics, 21, 25389-25396 (2019)
    DOI: 10.1039/c9cp04690a

  • “ Ionic Polymerization in Cold Plasmas of Acetylene with Ar and He ”
    Miguel Jiménez-Redondo, Isabel Tanarro, Ramón Peláez, Lidia Díaz-Pérez and Víctor J. Herrero.
    The Journal of Physical Chemistry A 123, 8135-8147 (2019)
    DOI: 10.1021/acs.jpca.9b06399

  • “ Accurate wavenumber measurements for the S0(0), S0(1) and S0(2) pure rotational Raman lines of D2 ”
    R. Z. Martínez, D. Bermejo, F. Thibault and P. Wcislo.
    Journal of Raman Spectroscopy 50(1), 127-129 (2019)
    DOI: 10.1002/jrs.5499

  • “ Line-shape parameters for pure rotational Raman lines of D2 in He ”
    R. Z. Martínez, D. Bermejo, F. Thibault and P. Wcislo.
    Journal of Physics: Conference Series 1289, 2012026 (2019)
    DOI: 10.1088/1742-6596/1289/1/012026

  • “ Desorption of N2, CO, CH4 and CO2 from interstellar carbonaceous dust analogues ”
    B. Maté, M. Jimenez-Redondo, R. J. Peláez, I. Tanarro, and V. J. Herrero.
    Monthly Notices of the Royal Astronomical Society, MNRAS 490, 2936–2947 (2019)
    DOI: 10.1093/mnras/stz2603

  • “ Silicate-mediated interstellar water formation: a theoretical study ”
    Germán Molpeceres, Albert Rimola, Cecilia Ceccarelli, Johannes Kästner, Piero Ugliengo and Belén Maté.
    Monthly Notices of the Royal Astronomical Society, MNRAS 482, 5389–5400 (2019)
    DOI: 10.1093/mnras/sty3024

  • “ Nanosecond laser-induced interference grating formation on silicon ”
    R.J. Peláez, E. Rebollar, R. Serna, C. Acosta-Zepeda, P. Saavedra, J. Bonse, and E. Haro-Poniatowski.
    Journal of Physics D - Applied Physics 52, 225302 (2019)
    DOI: 10.1088/1361-6463/ab0c5f

  • “ Orbiting resonances in th F+HD (v=0,1) reaction at very low collision energies. A quantum dynamical study ”
    V. Sáez-Rabanos, J. E. Verdasco and V. J. Herrero.
    Physical Chemistry Chemical Physics, 21, 15177-15186 (2019)
    DOI: 10.1039/C9CP02718A