Publications by the researcher in collaboration with MARÍA MERCEDES RUBIO MAS (23)

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 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. Interpretation of the electronic absorption spectrum of free base porphin by using multiconfigurational second-order perturbation theory

    Chemical Physics Letters, Vol. 295, Núm. 3, pp. 195-203

1996

  1. A theoretical study of the electronic spectrum of terthiophene

    Chemical Physics Letters, Vol. 248, Núm. 5-6, pp. 321-328

1995

  1. A theoretical study of the electronic spectrum of biphenyl

    Chemical Physics Letters, Vol. 234, Núm. 4-6, pp. 373-381

  2. A theoretical study of the electronic spectrum of bithiophene

    The Journal of Chemical Physics, Vol. 102, Núm. 9, pp. 3580-3586