List of QCEXVAL publications in 2004
- “Spectroscopy: Applications”.
L. Serrano-Andrés and M. Merchán
“Encyclopedia of Computational Chemistry”. Eds. P. v. R. Schleyer, W. L. Jorgensen, H. F. Schaeffer III, P. R. Schreiner, W. Thiel, and R. Glen, Wiley, Chichester (2004)
- “Vida y Luz: Una Perspectiva Químico-Cuántica”.
L. Serrano-Andrés and M. Merchán
Anales de Química, 100 (3), 16-31 (2004)
- “A theory of nonvertical triplet energy transfer in terms of accurate potential energy surfaces: The transfer reaction from pi,pi* triplet donors to 1,3,5,7- cyclooctatetraene”
L. M. Frutos, O. Castaño, J. L. Andrés, M. Merchán, and A. U. M. Acuña
Journal of Chemical Physics, 120, 1208-1216 (2004) - “Multiconfigurational Second-Order Perturbation Study of the Decomposition of the Radical Anion of Nitromethane”
J. F. Arenas, J. C. Otero, D. Peláez, J. Soto, and L. Serrano-Andrés
Journal of Chemical Physics, 121, 4127-4132 (2004) - “MOLCAS as a Development Platform for Quantum Chemical Applications”
V. Veryazov, P. -O. Widmark, L. Serrano-Andrés, R. Lindh, and B. O. Roos
International Journal of Quantum Chemistry, 100, 626-635 (2004) - “MOLCAS Version 6.0. A quantum chemistry package”.
K. Andersson, M. Baryz, A. Bernhardsson, M. R. A. Blomberg, Y. Carissan, D. L. Cooper, M. Cossi, M. P. Fülscher, L. Gagliardi, C. de Graaf, B. Hess, G. Karlström, J. Krogh, R. Lindh, P.-A. Malmqvist, T. Nakajima, J. Olsen, J. Raab, B. O. Roos, B. Schimmelpfennig, M. Schütz, L. Seijo, L. Serrano-Andrés, P. E. Siegbahn, J. Stalring, T. Thorsteinsson, V. Veryazov, and P.-O. Widmark, “MOLCAS Version 6.0. Tutorials and Examples”.
L. Serrano-Andrés and N. W. Moriarty,
Dept. of Theor. Chem., Univ. of Lund, P.O.B. 124, S-221 00 Lund, Sweden, 2004