CS

Mojmír Kývala

mail mojmir.kyvalainvalid-email-name@invalid-email-domainuochb.cas.cz
phone +420 220 183 213
Scientist
Zdeněk Havlas Group
Computational Chemistry
All publications

Latest publications

Quantum Chemical and Trajectory Surface Hopping Molecular Dynamics Study of Iodine-Based BODIPY Photosensitizer
M. W. Baig M. Pederzoli M. Kývala J. Pittner
Journal of Computational Chemistry 46 (7): e70026 (2025)
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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)
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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)
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Calculation of transition matrix elements by nonsingular orbital transformations
M. Kývala
International Journal of Quantum Chemistry 109 (6): 1200-1227 (2009)
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