List of QCEXVAL publications in 2003
- “Ultrafast Internal Conversion of Excited Cytosine via the Lowest pipi* Electronic Singlet State”
M. Merchán and L. Serrano-Andrés
Journal of the American Chemical Society, 125, 8108-8109 (2003) - “Theoretical determination of the singlet -> singlet and singlet -> triplet electronic spectra, lowest ionization potentials, and electron affinity of cyclooctatetraene”
L. M. Frutos, O. Castaño, and M. Merchán
Journal of Physical Chemistry A, 107, 5472-5478 (2003) - “Theoretical analysis of the excited states in maleimide”
T. Climent, R. González-Luque, and M. Merchán
Journal of Physical Chemistry A, 107, 6995-7003 (2003) - “A Theoretical Analysis of the Excited States in 2-Benzoylthiophene”
R. González-Luque, M. Merchán, M. Rubio, L. Serrano-Andrés, B. O. Roos, and M. A. Miranda
Molecular Physics, 101, 1977-1982 (2003) - “The Electronic Spectra of Aryl Olefines: A Theoretical Study of Phenylacetylene”
L. Serrano-Andrés, M. Merchán, and M. Jablonski
Journal of Chemical Physics, 119, 4294-4304 (2003) - “Theoretical Characterization of the Absorption Spectrum of Phenanthrene and its Cation”
R. González-Luque, L. Serrano-Andrés, M. Merchán, and M. P. Fülsher
Theoretical Chemistry Accounts, 110, 224-232 (2003) - “Theoretical Absorption and Emission Spectra of 1H- and 2H- Benzotriazole”
A. C. Borin, L. Serrano-Andrés, V. Ludwig, and S. Canuto
Physical Chemistry Chemical Physics, 5, 5001-5009 (2003) - “An ab initio study on the mechanism of the atmospheric reaction NH2+O-3 -> H2NO+O-2”
J. Peiró-García, I. Nebot-Gil, and M. Merchán
ChemPhysChem, 4, 366-372 (2003) - “The low-lying excited states of 2,2 ‘-bithiophene: A theoretical analysis”
M. Rubio, M. Merchán, R. Pou-Amérigo, and E. Ortí
ChemPhysChem, 4, 1308-1315 (2003)