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Photophysics of BODIPY-Based Photosensitizer for Photodynamic Therapy: Surface Hopping and Classical Molecular Dynamics.
J Chem Theory Comput. 2019 Sep 10;15(9):5046-5057. doi: 10.1021/acs.jctc.9b00533. Epub 2019 Aug 21.
J Chem Theory Comput. 2019.
PMID: 31390517
Theoretical Investigation of the Effect of Alkylation and Bromination on Intersystem Crossing in BODIPY-Based Photosensitizers.
Wasif Baig M, Pederzoli M, Kývala M, Cwiklik L, Pittner J.
Wasif Baig M, et al. Among authors: kyvala m.
J Phys Chem B. 2021 Oct 28;125(42):11617-11627. doi: 10.1021/acs.jpcb.1c05236. Epub 2021 Oct 18.
J Phys Chem B. 2021.
PMID: 34661408
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Effect of spin-orbit coupling on reduction potentials of octahedral ruthenium(II/III) and osmium(II/III) complexes.
Srnec M, Chalupský J, Fojta M, Zendlová L, Havran L, Hocek M, Kývala M, Rulísek L.
Srnec M, et al. Among authors: kyvala m.
J Am Chem Soc. 2008 Aug 20;130(33):10947-54. doi: 10.1021/ja800616s. Epub 2008 Jul 23.
J Am Chem Soc. 2008.
PMID: 18646850
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