Publikationen, an denen er mitarbeitet M REMEDIOS GONZALEZ LUQUE (36)

2011

  1. On the role of the triplet state in the cis/trans isomerization of rhodopsin: A CASPT2//CASSCF study of a model chromophore

    International Journal of Quantum Chemistry, Vol. 111, Núm. 13, pp. 3431-3437

2010

  1. Cyclobutane pyrimidine photodimerization of DNA/RNA nucleobases in the triplet state

    Journal of Physical Chemistry Letters, Vol. 1, Núm. 14, pp. 2072-2076

  2. Singlet-triplet states interaction regions in DNA/RNA nucleobase hypersurfaces

    Journal of Chemical Theory and Computation, Vol. 6, Núm. 7, pp. 2103-2114

2009

  1. The role of pyrimidine nucleobase excimers in DNA photophysics and photoreactivity

    Pure and Applied Chemistry

2008

  1. The family of furocoumarins: Looking for the best photosensitizer for phototherapy

    Journal of Photochemistry and Photobiology A: Chemistry, Vol. 199, Núm. 1, pp. 34-41

2007

  1. About the intrinsic photochemical properties of the 11-cis retinal chromophore: Computational clues for a trap state and a lever effect in Rhodopsin catalysis

    Theoretical Chemistry Accounts, Vol. 118, Núm. 1, pp. 173-183

  2. On the intrinsic population of the lowest triplet state of thymine

    Journal of Physical Chemistry B, Vol. 111, Núm. 41, pp. 11880-11883

  3. On the intrinsic population of the lowest triplet state of uracil

    Chemical Physics Letters, Vol. 441, Núm. 4-6, pp. 327-331

2006

  1. Theoretical insight into the spectroscopy and photochemistry of isoalloxazine, the flavin core ring

    Journal of Physical Chemistry A, Vol. 110, Núm. 50, pp. 13584-13590

  2. Unified model for the ultrafast decay of pyrimidine nucleobases

    Journal of Physical Chemistry B, Vol. 110, Núm. 51, pp. 26471-26476

2005

  1. Structure, spectroscopy, and spectral tuning of the gas-phase retinal chromophore: The β-ionone "Handle" and alkyl group effect

    Journal of Physical Chemistry A, Vol. 109, Núm. 29, pp. 6597-6605

2003

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

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

  2. Theoretical Analysis of the Excited States in Maleimide

    Journal of Physical Chemistry A, Vol. 107, Núm. 36, pp. 6995-7003

  3. Theoretical characterization of the absorption spectra of phenanthrene and its radical cation

    Theoretical Chemistry Accounts, Vol. 110, Núm. 3, pp. 224-232

2000

  1. Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 97, Núm. 17, pp. 9379-9384

1999

  1. Theoretical spectroscopy of organic systems

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

1998

  1. Low-lying singlet and triplet states of all-trans (10-s-cis)-2, , ,-undecapentaen-1-al: A theoretical determination

    Molecular Physics, Vol. 94, Núm. 1, pp. 189-198

1997

  1. Ab initio study on the low-lying excited states of retinal

    Journal of Chemical Physics, Vol. 106, Núm. 3, pp. 1112-1122

  2. Radical cations of non-alternant systems as probes of the Shaik-Pross VB configuration mixing model

    Journal of the Chemical Society. Perkin Transactions 2, pp. 463-472

1996

  1. A theoretical determination of the electronic spectrum of Methylenecyclopropene

    Theoretical Chemistry Accounts, Vol. 94, Núm. 3, pp. 143-154