Publicacions en col·laboració amb investigadors/es de University of Vienna (7)

2023

  1. Do we need delocalised wavefunctions for the excited state dynamics of 1,1-difluoroethylene?

    Canadian Journal of Chemistry, Vol. 101, Núm. 9, pp. 745-757

2020

  1. A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution

    Journal of the American Chemical Society, Vol. 142, Núm. 17, pp. 7947-7955

  2. Motivation and Basic Concepts

    Quantum Chemistry and Dynamics of Excited States: Methods and Applications (wiley), pp. 1-12

2019

  1. From Surface Hopping to Quantum Dynamics and Back. Finding Essential Electronic and Nuclear Degrees of Freedom and Optimal Surface Hopping Parameters

    Journal of Physical Chemistry A, Vol. 123, Núm. 38, pp. 8321-8332

  2. Highly efficient surface hopping dynamics using a linear vibronic coupling model

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 1, pp. 57-69

  3. The 3s Rydberg state as a doorway state in the ultrafast dynamics of 1,1-difluoroethylene

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 9, pp. 4871-4878

2017

  1. Discrimination of 1,1-difluoroethylene nuclear spin isomers in the presence of non-adiabatic coupling terms

    Chemical Physics Letters, Vol. 683, pp. 205-210