List of QCEXVAL publications in 2005
- “Ab Initio Methods for Excited States”.
M. Merchán and L. Serrano-Andrés,
In:“Computational Photochemistry”.
Ed. M. Olivucci, Elsevier, Amsterdam (2005) Vol. 16, pp. 35-91. - “Computation of Conical Intersections by Using Perturbation Techniques”.
L. Serrano-Andrés, M. Merchán, and R. Lindh,
Journal of Chemical Physics, 122, 104107-1-10 (2005) - “Triplet-State Formation Along the Ultrafast Decay of Excited Singlet Cytosine”.
M. Merchán, L. Serrano-Andrés, M. A. Robb, and L. Blancafort
Journal of the American Chemical Society, 127, 1820-1825 (2005) - “On the Low-lying Excited States of sym-Triazine-Based Herbicides”.
J. M. Oliva, M. E. D. G. Azenha, H. D. Burrows, R. Coimbra, J. S. Seixas de Melo, M. Canle L., M. I. Fernández, J. A. Santaballa, and L. Serrano-Andrés
ChemPhysChem, 6, 306-314 (2005) - “Quantum Chemistry of the Excited State: 2005 Overview”.
L. Serrano-Andrés and M. Merchán
Journal of Molecular Structure, Theochem, 729, 99-108 (2005) - “Theoretical study of the electronic excited states of tetracyanoethylene and its radical anion”.
B. Milián, R. Pou-Amérigo, M. Merchán, and E. Ortí
ChemPhysChem, 6, 503-510 (2005) - “A Theoretical Study on the Low-lying Excited States of 2,2′:5′,2”-Terthiophene and 2,2′:5′,2”:5”,2”’- Quaterthiophene”.
M. Rubio, M. Merchán, and E. Ortí
ChemPhysChem, 6, 1357-1368 (2005) - “Structure, Spectroscopy, and Spectral Tuning of the Gas-phase Retinal Chromophore: The Beta-Ionone ‘Handle’ and Alkyl Group Effect”.
A. Cembran, R. González-Luque, P. Altoe, M. Merchán, F. Bernardi, M. Olivucci, and M. Garavelli
Journal of Physical Chemistry A, 109, 6597-6605 (2005)