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- 1.0570807 - ÚFCH JH 2024 RIV US eng J - Journal Article
Tichý, O. - Pederzoli, Marek - Pittner, Jiří - Burda, J. V.
Vertical Excitation Energies and Lifetimes of the Two Lowest Singlet Excited States of Cytosine, 5-Aza-cytosine, and the Triazine Family: Quantum Mechanics–Molecular Mechanics Studies.
Journal of Chemical Theory and Computation. Roč. 19, č. 7 (2023), s. 1976-1985. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA19-06860S
Institutional support: RVO:61388955
Keywords : Chemical structure * Computational chemistry * Energy
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0342144File Download Size Commentary Version Access 0570807.pdf 0 4.9 MB open access Publisher’s postprint open-access - 2.0562533 - ÚFCH JH 2023 RIV US eng J - Journal Article
Barbatti, M. (ed.) - Bondanza, M. - Crespo-Otero, R. - Demoulin, B. - Dral, P. O. - Granucci, G. - Kossoski, F. - Lischka, H. - Mennucci, B. - Mukherjee, S. - Pederzoli, Marek - Persico, M. - Pinheiro Jr., M. - Pittner, Jiří - Plasser, F. - Gil, E. S. - Stojanović, L.
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles.
Journal of Chemical Theory and Computation. Roč. 18, č. 11 (2022), s. 6851-6865. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA19-06860S
Institutional support: RVO:61388955
Keywords : Newton-X platform * nuclear ensembles * computational chemistry
OECD category: Physical chemistry
Impact factor: 5.5, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0334846File Download Size Commentary Version Access 0562533.pdf 1 4.6 MB open access Publisher’s postprint open-access - 3.0547507 - ÚFCH JH 2022 RIV US eng J - Journal Article
Baig, Mirza Wasif - Pederzoli, Marek - Kývala, M. - Cwiklik, Lukasz - Pittner, Jiří
Theoretical Investigation of the Effect of Alkylation and Bromination on Intersystem Crossing in BODIPY-Based Photosensitizers.
Journal of Physical Chemistry B. Roč. 125, č. 42 (2021), s. 11617-11627. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA ČR(CZ) GA18-26751S; GA ČR(CZ) GA19-06860S
Institutional support: RVO:61388955
Keywords : BOPIDY-Based Photosenzitizers * photodynamic therapy * alkylation
OECD category: Physical chemistry
Impact factor: 3.466, year: 2021
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0323719File Download Size Commentary Version Access 0547507.pdf 4 3.7 MB Publisher’s postprint require 0547507preprint.pdf 1 3.6 MB Author´s preprint open-access