Departamento de Física Molecular
Dpto. Física Molecular
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scientific papers
 

Publicaciones 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

  • “ 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