Mojmír Kývala

All publications

Latest publications

Theoretical Investigation of the Effect of Alkylation and Bromination on Intersystem Crossing in BODIPY-Based Photosensitizers

M. W. Baig M. Pederzoli M. Kývala L. Cwiklik J. Pittner

Journal of Physical Chemistry B 125 (42): 11617-11627 (2021)

Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics

M. Pederzoli M. W. Baig M. Kývala J. Pittner L. Cwiklik

Journal of Chemical Theory and Computation 15 (9): 5046-5057 (2019)

Calculation of transition matrix elements by nonsingular orbital transformations

M. Kývala

International Journal of Quantum Chemistry 109 (6): 1200-1227 (2009)

Effect of Spin−Orbit Coupling on Reduction Potentials of Octahedral Ruthenium(II/III) and Osmium(II/III) Complexes

M. Srnec J. Chalupský M. Fojta L. Zendlová L. Havran M. Hocek M. Kývala L. Rulíšek

Journal of the American Chemical Society 130 (33): 10947-10954 (2008)