Publicacións en colaboración con investigadores/as de Lund University (48)

2005

  1. Computation of conical intersections by using perturbation techniques

    Journal of Chemical Physics, Vol. 122, Núm. 10

2003

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

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

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

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

2002

  1. Theoretical characterization of the lowest-energy absorption band of pyrrole

    Journal of Chemical Physics, Vol. 116, Núm. 17, pp. 7526-7536

2001

  1. Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer

    International Journal of Quantum Chemistry

2000

  1. A theoretical determination of the low-lying electronic states of the p- benzosemiquinone radical anion

    Journal of the American Chemical Society, Vol. 122, Núm. 25, pp. 6067-6077

  2. On the low-lying singlet excited states of styrene: A theoretical contribution

    Physical Chemistry Chemical Physics, Vol. 2, Núm. 10, pp. 2211-2217

  3. Theoretical Study of the Twisted Intramolecular Charge Transfer in 1-Phenylpyrrole

    Journal of Physical Chemistry A, Vol. 104, Núm. 7, pp. 1608-1616

1999

  1. A theoretical study of the electronic spectrum of cis-stilbene

    Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, Vol. 55, Núm. 3, pp. 433-446

  2. Electronic Spectra of 1,4-Cyclohexadiene and 1,3-Cyclohexadiene: A Combined Experimental and Theoretical Investigation

    Journal of Physical Chemistry A, Vol. 103, Núm. 28, pp. 5468-5476

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

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

1998

  1. Electronic spectra of phenylcyclopropane and cumene cation radicals: Interplay of experiment and theory

    Journal of Physical Chemistry A, Vol. 102, Núm. 45, pp. 8979-8987

  2. 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

1997

  1. Photochemical nitration by tetranitromethane. Part XL. Regiochemistry of trinitromethyl attachment in the photolysis of benzofuran with tetranitromethane

    Acta Chemica Scandinavica, Vol. 51, Núm. 10, pp. 984-999

  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 combined theoretical and experimental determination of the electronic spectrum of acetone

    Journal of Chemical Physics, Vol. 104, Núm. 5, pp. 1791-1804

  2. A theoretical determination of the electronic spectrum of Methylenecyclopropene

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

  3. A theoretical study of the dissociation energy of Ni+2 a case of broken symmetry

    Chemical Physics Letters, Vol. 252, Núm. 5-6, pp. 405-414

  4. A theoretical study of the electronic spectrum of terthiophene

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

  5. Applications of level shift corrected perturbation theory in electronic spectroscopy

    Journal of Molecular Structure: THEOCHEM, Vol. 388, Núm. 1-3, pp. 257-276