Publicacions en col·laboració amb investigadors/es de Friedrich Schiller University Jena (6)

2012

  1. Erratum: SHARC - Ab initio molecular dynamics with surface hopping in the adiabatic representation including arbitrary couplings (Journal of Chemical Theory and Computation (2011) 7 (1253-1258))

    Journal of Chemical Theory and Computation

  2. Femtosecond intersystem crossing in the DNA nucleobase cytosine

    Journal of Physical Chemistry Letters, Vol. 3, Núm. 21, pp. 3090-3095

  3. Mixed quantum-classical dynamics in the adiabatic representation to simulate molecules driven by strong laser pulses

    Journal of Physical Chemistry A

2011

  1. Nonadiabatic ab initio molecular dynamics including spin-orbit coupling and laser fields

    Faraday Discussions, Vol. 153, pp. 261-273

  2. SHARC: Ab initio molecular dynamics with surface hopping in the adiabatic representation including arbitrary couplings

    Journal of Chemical Theory and Computation, Vol. 7, Núm. 5, pp. 1253-1258

2009

  1. Laser control of conical intersections: Quantum model simulations for the averaged loss-gain strategies of fast electronic deactivation in 1,1-difluoroethylene

    Journal of Chemical Physics, Vol. 131, Núm. 10