QCEXVAL

Top ten of most cited publications with QCEXVAL group members

  1. “Software News and Update MOLCAS 7: The Next Generation”
    F. Aquilante, L. De Vico, N. Ferre, G. Ghigo, PA. Malmqvist, P. Neogrady, TB. Pedersen, M. Pitonac, M. Reiher, BO. Roos, L. Serrano-Andrés, M. Urban, V. Veryazov and R. Lindh
    Journal of Computational Chemistry, 2010, 31, 224-247
    Times Cited: 888
  2. “The multi-state CASPT2 method”
    J. Finley, PA Malmqvist, BO. Roos and L. Serrano-Andrés
    Chemical Physics Letters, 1998, 228, 299-306
    Times Cited: 640
  3. “Multiconfigurational perturbation theory: Applications in electronic spectroscopy”
    BO. Roos, K. Andersson, MP. Fulscher, PA. Malmqvist, L. Serrano-Andrés, K. Pierloot and M. Merchán
    Advances in Chemical Physics, 1996, 93, 219-331
    Times Cited: 519
  4. “Does density functiona theory contribute to the understanding of excited states of unsatured organic compounds?”
    DJ. Tozer, RD. Amos, NC. Handy, BO. Roos and L. Serrano-Andrés
    Molecular Physics, 1999, 97, 859-868
    Times Cited: 428
  5. “Towards an Accurate Molecular-Orbital Theory for Excited-States – Ethene, Butadiene, and Hexatrine”
    L. Serrano-Andrés, M. Merchán, I. Nebot-Gil, R. Lindh and BO. Roos
    Journal of Chemical Physics, 1993, 98, 3151-3162
    Times Cited: 363
  6. “Density-Matrix Averaged Atomic Natural Orbital (ANO) basis-sets for Correlated Molecular Wave-Functions .3. First Row Transition-Metal Atoms”
    R. Pou-Amerigo, M. Merchán, I. Nebot-Gil, PO. Widmark and BO. Roos
    Theoretica Chimica Acta, 1995, 92, 149-181
    Times Cited: 249
  7. “Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization”
    R. González-Luque, M. Garavelli, F. Bernardi, M. Merchán, MA. Robb and M. Olivucci
    Proceedings of the National Academy of Scuences of the United States of America, 2000, 97, 9379-9384
    Times Cited: 236
  8. “Adeninne and 2-aminopurine: Paradigms of modern theoretical photochemistry”
    L. Serrano-Andrés, M. Merchán, AC. Borín
    Proceedings of the National Academy of Scuences of the United States of America, 2006, 103, 8691-8696
    Times Cited: 200
  9. “Ultrafast internal conversion of excited cytosine via the lowest pi pi* electronic singlet state”
    L. Serrano-Andrés and M. Merchán
    Journal of the American Chemical Society, 2003, 125, 8108-8109
    Times Cited: 191
  10. “Unified model for the ultrafast decay of pyrimidine nucleobases”
    M. Merchán, R. González-Luque, T. Climent, L. Serrano-Andrés, E. Rodríguez, M. Reguero and D. Pelaez
    Journal of Physical Chemistry B, 2006, 110, 26471-26476
    Times Cited: 170

 

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