Publicaciones en las que colabora con MARÍA MERCEDES RUBIO MAS (30)

2024

  1. Quantum-Chemistry Study of the Photophysical Properties of 4-Thiouracil and Comparisons with 2-Thiouracil

    Journal of Physical Chemistry A, Vol. 128, Núm. 12, pp. 2273-2285

2020

  1. On the chemiluminescence emission of luminol: Protic and aprotic solvents and encapsulation to improve the properties in aqueous solution

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 47, pp. 27617-27625

2013

  1. Towards the understanding at the molecular level of the structured-water absorption and fluorescence spectra: A fingerprint of π-stacked water

    Molecular Physics, Vol. 111, Núm. 9-11, pp. 1308-1315

2012

  1. On the N 1-H and N 3-H bond dissociation in uracil by low energy electrons: A CASSCF/CASPT2 study

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 8, pp. 2769-2776

2009

  1. DNA nucleobase properties and photoreactivity: Modeling environmental effects

    Pure and Applied Chemistry

  2. Determination of the electron-detachment energies of 2′- deoxyguanosine 5′-monophosphate anion: Influence of the conformation

    Journal of Physical Chemistry B, Vol. 113, Núm. 8, pp. 2451-2457

2008

  1. Ab initio determination of the electron affinities of DNA and RNA nucleobases

    Journal of Chemical Physics, Vol. 129, Núm. 9

  2. Excited states of the water molecule: Analysis of the valence and Rydberg character

    Journal of Chemical Physics, Vol. 128, Núm. 10

2007

  1. Bioexcimers as precursors of charge transfer and reactivity in photobiology

    AIP Conference Proceedings

2006

  1. Ab initio determination of the ionization potentials of DNA and RNA nucleobases

    Journal of Chemical Physics, Vol. 125, Núm. 8

  2. Determination of the lowest-energy oxidation site in nucleotides: 2′-deoxythymidine 5′-monophosphate anion

    Journal of Physical Chemistry B, Vol. 110, Núm. 21, pp. 10234-10235

2005

  1. A theoretical study on the low-lying excited states of 2,2′:5′, 2″-terthiophene and 2,2′:5′,2″:5″,2‴- quaterthiophene

    ChemPhysChem, Vol. 6, Núm. 7, pp. 1357-1368

2003

  1. A theoretical analysis of the excited states in 2-benzoylthiophene

    Molecular Physics, Vol. 101, Núm. 13, pp. 1977-1982

  2. The Low-Lying Excited States of 2,2′-Bithiophene: A Theoretical Analysis

    ChemPhysChem, Vol. 4, Núm. 12, pp. 1308-1315

2002

  1. Electronic spectra of tetrathiafulvalene and its radical cation: Analysis of the performance of the time-dependent DFT approach

    Chemical Physics Letters, Vol. 352, Núm. 5-6, pp. 491-498

  2. Electronic transitions in tetrathiafulvalene and its radical cation: A theoretical contribution

    Journal of Physical Chemistry A, Vol. 106, Núm. 4, pp. 631-640

2001

  1. Electronic spectra of 2,2′-bithiophene and 2,2′:5′,2″-terthiophene radical cations: A theoretical analysis

    Journal of Physical Chemistry A, Vol. 105, Núm. 42, pp. 9788-9794

1999

  1. Theoretical spectroscopy of organic systems

    Journal of Molecular Structure: THEOCHEM, Vol. 463, Núm. 1-2, pp. 201-210

  2. Theoretical study of the electronic spectrum of magnesium-porphyrin

    Journal of Chemical Physics, Vol. 110, Núm. 15, pp. 7202-7209

1998

  1. AMYR 2: A new version of a computer program for pair potential calculation of molecular associations

    Computer Physics Communications, Vol. 115, Núm. 1, pp. 87-89