Search results
- 1.0568115 - ÚOCHB 2024 RIV US eng J - Journal Article
Tom, R. - Gao, S. - Yang, Y. - Zhao, K. - Bier, I. - Buchanan, E. A. - Zaykov, Alexandr - Havlas, Zdeněk - Michl, Josef - Marom, N.
Inverse Design of Tetracene Polymorphs with Enhanced Singlet Fission Performance by Property-Based Genetic Algorithm Optimization.
Chemistry of Materials. Roč. 35, č. 3 (2023), s. 1373-1386. ISSN 0897-4756. E-ISSN 1520-5002
Research Infrastructure: e-INFRA CZ - 90140
Institutional support: RVO:61388963
Keywords : crystal structure prediction * exciton fission * thin film
OECD category: Physical chemistry
Impact factor: 8.6, year: 2022
Method of publishing: Open access
https://doi.org/10.1021/acs.chemmater.2c03444
Permanent Link: https://hdl.handle.net/11104/0339456 - 2.0552719 - ÚOCHB 2022 US eng J - Journal Article
Havlas, Zdeněk - Kaleta, Jiří
Tribute to Josef Michl.
Journal of Physical Chemistry A. Roč. 125, č. 9 (2021), s. 1801. ISSN 1089-5639. E-ISSN 1520-5215
Institutional support: RVO:61388963
Impact factor: 2.944, year: 2021
Method of publishing: Limited access
https://doi.org/10.1021/acs.jpca.1c01072
Permanent Link: http://hdl.handle.net/11104/0327834 - 3.0521880 - ÚOCHB 2021 RIV US eng J - Journal Article
Wen, Jin - Turowski, M. - Dron, P. I. - Chalupský, Jakub - Grotjahn, R. - Maier, T. M. - Fatur, S. M. - Havlas, Zdeněk - Johnson, J. C. - Kaupp, M. - Michl, Josef
Electronic States of 2,3-Diamino-1,4-naphthoquinone and Its N-Alkylated Derivatives.
Journal of Physical Chemistry C. Roč. 124, č. 1 (2020), s. 60-69. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR GA15-19143S; GA ČR(CZ) GA19-22806S
Institutional support: RVO:61388963
Keywords : density functional theory * local hybrid functionals * auxiliary basis-sets
OECD category: Physical chemistry
Impact factor: 4.126, year: 2020
Method of publishing: Limited access
https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.9b08955
Permanent Link: http://hdl.handle.net/11104/0306428 - 4.0517398 - ÚOCHB 2020 RIV JP eng J - Journal Article
Buchanan, E. A. - Havlas, Zdeněk - Michl, Josef
Optimal Arrangements of Tetracene Molecule Pairs for Fast Singlet Fission.
Bulletin of the Chemical Society of Japan. Roč. 92, č. 12 (2019), s. 1960-1971. ISSN 0009-2673. E-ISSN 1348-0634
R&D Projects: GA ČR GA15-19143S; GA ČR(CZ) GA19-22806S
Institutional support: RVO:61388963
Keywords : tetracene * singlet fission * molecular packing
OECD category: Physical chemistry
Impact factor: 4.488, year: 2019
Method of publishing: Open access
https://www.journal.csj.jp/doi/10.1246/bcsj.20190229
Permanent Link: http://hdl.handle.net/11104/0303001File Download Size Commentary Version Access 0517398.pdf 8 4.5 MB Publisher’s postprint open-access - 5.0512042 - ÚOCHB 2020 RIV US eng J - Journal Article
Ryerson, J. L. - Zaykov, Alexandr - Aguilar Suarez, L. E. - Havenith, R. W. A. - Stepp, B. R. - Dron, P. I. - Kaleta, Jiří - Akdag, A. - Teat, S. J. - Magnera, T. F. - Miller, J. R. - Havlas, Zdeněk - Broer, R. - Faraji, S. - Michl, Josef - Johnson, J. C.
Structure and photophysics of indigoids for singlet fission: Cibalackrot.
Journal of Chemical Physics. Roč. 151, č. 18 (2019), č. článku 184903. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA15-19143S; GA ČR(CZ) GA19-22806S
Institutional support: RVO:61388963
Keywords : external quantum efficiency * exciton fission * charge transfer
OECD category: Physical chemistry
Impact factor: 2.991, year: 2019
Method of publishing: Limited access
https://aip.scitation.org/doi/10.1063/1.5121863
Permanent Link: http://hdl.handle.net/11104/0302275 - 6.0509382 - ÚOCHB 2020 RIV US eng J - Journal Article
Zaykov, Alexandr - Felkel, P. - Buchanan, E. A. - Jovanovic, M. - Havenith, R. W. A. - Kathir, R. K. - Broer, R. - Havlas, Zdeněk - Michl, Josef
Singlet Fission Rate: Optimized Packing of a Molecular Pair. Ethylene as a Model.
Journal of the American Chemical Society. Roč. 141, č. 44 (2019), s. 17729-17743. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GA15-19143S; GA ČR(CZ) GA19-22806S
Institutional support: RVO:61388963
Keywords : exciton fission * charge transfer * electronic structure
OECD category: Physical chemistry
Impact factor: 14.612, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/jacs.9b08173
Permanent Link: http://hdl.handle.net/11104/0300147 - 7.0504482 - ÚOCHB 2020 RIV US eng J - Journal Article
Buchanan, E. A. - Kaleta, Jiří - Wen, Jin - Lapidus, S. H. - Císařová, I. - Havlas, Zdeněk - Johnson, J. C. - Michl, Josef
Molecular Packing and Singlet Fission: The Parent and Three Fluorinated 1,3-Diphenylisobenzofurans.
Journal of Physical Chemistry Letters. Roč. 10, č. 8 (2019), s. 1947-1953. ISSN 1948-7185
R&D Projects: GA ČR GA15-19143S
Institutional support: RVO:61388963
Keywords : exciton fission * charge transfer * thin films
OECD category: Physical chemistry
Impact factor: 6.710, year: 2019
Method of publishing: Limited access
https://pubs.acs.org/doi/10.1021/acs.jpclett.8b03875
Permanent Link: http://hdl.handle.net/11104/0296103 - 8.0498552 - ÚOCHB 2019 RIV CZ cze J - Journal Article
Havlas, Zdeněk - Michl, Josef
Štěpení singletu.
[Singlet Fission.]
Chemické listy. Roč. 112, č. 10 (2018), s. 669-677. ISSN 0009-2770. E-ISSN 1213-7103
R&D Projects: GA ČR GA15-19143S
Institutional support: RVO:61388963
Keywords : photophysics * photovoltaics * solar cells * electronic excitation
OECD category: Physical chemistry
Impact factor: 0.311, year: 2018
http://www.chemicke-listy.cz/ojs3/index.php/chemicke-listy/article/view/3191/3167
Permanent Link: http://hdl.handle.net/11104/0290892 - 9.0493068 - ÚOCHB 2019 RIV US eng J - Journal Article
Wen, Jin - Han, B. - Havlas, Zdeněk - Michl, Josef
An MS-CASPT2 Calculation of the Excited Electronic States of an Axial Difluoroborondipyrromethene (BODIPY) Dimer.
Journal of Chemical Theory and Computation. Roč. 14, č. 8 (2018), s. 4291-4297. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA15-19143S
Institutional support: RVO:61388963
Keywords : second-order perturbation theory * Gaussian basis sets * photodynamic therapy
OECD category: Physical chemistry
Impact factor: 5.313, year: 2018
Permanent Link: http://hdl.handle.net/11104/0286526 - 10.0475617 - ÚOCHB 2018 RIV US eng J - Journal Article
Plutnar, Jan - Hromadová, Magdaléna - Fanelli, N. - Ramešová, Šárka - Havlas, Zdeněk - Pospíšil, Lubomír
Electron Transfer Mechanism of Substituted Benzimidazoles: Dimer Switching, Oscillations, and Search for Singlet Fission Properties.
Journal of Physical Chemistry C. Roč. 121, č. 18 (2017), s. 9963-9969. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR(CZ) GA16-03085S; GA ČR GA15-19143S
Institutional support: RVO:61388963 ; RVO:61388955
Keywords : correlated molecular calculations * Gaussian basis sets * reduction
OECD category: Physical chemistry
Impact factor: 4.484, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272290