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  1. 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/11104/0342144
    FileDownloadSizeCommentaryVersionAccess
    0570807.pdf04.9 MBopen accessPublisher’s postprintopen-access
     
     
  2. 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/11104/0334846
    FileDownloadSizeCommentaryVersionAccess
    0562533.pdf14.6 MBopen accessPublisher’s postprintopen-access
     
     
  3. 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/11104/0323719
    FileDownloadSizeCommentaryVersionAccess
    0547507.pdf43.7 MBPublisher’s postprintrequire
    0547507preprint.pdf13.6 MBAuthor´s preprintopen-access
     
     


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