Francesco Talotta

University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna

+43 1 4277


  1. F. Talotta, J.-L. Heully, F. Alary, I. M. Dixon, L. González, M. Boggio-Pasqua
    Linkage photoisomerization mechanism in a photochromic ruthenium nitrosyl complex: new insights from a MS-CASPT2 study
    J. Chem. Theory Comput. (accepted), 2017
  2. J. S. García, F. Talotta, F. Alary, I. M. Dixon, J.-L. Heully, M. Boggio-Pasqua
    A Theoretical Study of the N to O Linkage Photoisomerization Efficiency in a Series of Ruthenium Mononitrosyl Complexes
    Molecules 22 (10), 1667, (2017)
  3. A. Atkins, F. Talotta,L. Freitag, M. Boggio-Pasqua, L. González
    Assessing Excited State Energy Gaps with Time-Dependent Density Functional Theory on Ru(II) Complexes
    J. Chem. Theory Comput. 13 (9), 4123-4145, (2017)

Book Chapters

  1. L. Pacifici, F. Talotta, N. Balucani,N. Faginas-Lago, A. Laganà
    Modeling Combustions: The ab initio Treatment of the O(3P) + CH3OH Reaction
    In: O. Gervasi et al. (eds) Computational Science and Its Applications — ICCSA 2016. Lecture Notes in Computer Science, vol 9786. Springer, Cham, pp. 71–83 (2016)