Search results
- 1.0508569 - ÚOCHB 2020 RIV DE eng J - Journal Article
Izquierdo, M. - Platzer, B. - Stasyuk, A. J. - Stasyuk, Olga A. - Voityuk, A. A. - Cuesta, S. - Solà, M. - Guldi, D.M. - Martín, N.
All-Fullerene Electron Donor-Acceptor Conjugates.
Angewandte Chemie - International Edition. Roč. 58, č. 21 (2019), s. 6932-6937. ISSN 1433-7851. E-ISSN 1521-3773
Institutional support: RVO:61388963
Keywords : electroactive dyads * excited states * fullerenes * photoinduced electron transfer * stereoisomers
OECD category: Physical chemistry
Impact factor: 12.959, year: 2019
Method of publishing: Limited access
https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201901863
Permanent Link: http://hdl.handle.net/11104/0299438 - 2.0502939 - ÚOCHB 2020 RIV DE eng J - Journal Article
Stasyuk, A. J. - Stasyuk, Olga A. - Solà, M. - Voityuk, A. A.
Peculiar Photoinduced Electron Transfer in Porphyrin-Fullerene Akamptisomers.
Chemistry - A European Journal. Roč. 25, č. 10 (2019), s. 2577-2585. ISSN 0947-6539. E-ISSN 1521-3765
Institutional support: RVO:61388963
Keywords : akamptisomerism * charge transfer * fullerenes * organic photovoltaics * solar cells
OECD category: Physical chemistry
Impact factor: 4.857, year: 2019
Method of publishing: Limited access
https://chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.201804999
Permanent Link: http://hdl.handle.net/11104/0296529 - 3.0493444 - ÚOCHB 2019 RIV DE eng J - Journal Article
Stasyuk, A. J. - Stasyuk, Olga A. - Filippone, S. - Martin, N. - Solà, M. - Voityuk, A. A.
Stereocontrolled Photoinduced Electron Transfer in Metal-Fullerene Hybrids.
Chemistry - A European Journal. Roč. 24, č. 49 (2018), s. 13020-13025. ISSN 0947-6539. E-ISSN 1521-3765
Institutional support: RVO:61388963
Keywords : charge transfer * electron transfer * fullerenes * Ir-complex * stereospecific photoinduced electron transfer
OECD category: Physical chemistry
Impact factor: 5.160, year: 2018
Permanent Link: http://hdl.handle.net/11104/0286813 - 4.0492086 - ÚOCHB 2019 RIV US eng J - Journal Article
Stasyuk, Olga A. - Sedlák, Robert - Guerra, C. F. - Hobza, Pavel
Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions.
Journal of Chemical Theory and Computation. Roč. 14, č. 7 (2018), s. 3440-3450. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GBP208/12/G016
Institutional support: RVO:61388963
Keywords : density functional theory * adapted perturbation theory * intermolecular interaction energies
OECD category: Physical chemistry
Impact factor: 5.313, year: 2018
Permanent Link: http://hdl.handle.net/11104/0285948 - 5.0477164 - ÚOCHB 2018 RIV US eng J - Journal Article
Zborowski, K. K. - Szatylowicz, H. - Stasyuk, Olga A. - Krygowski, T. M.
Towards physical interpretation of substituent effects: the case of N- and C3-substituted pyrrole derivatives.
Structural Chemistry. Roč. 28, č. 4 (2017), s. 1223-1227. ISSN 1040-0400. E-ISSN 1572-9001
Institutional support: RVO:61388963
Keywords : substituent effect * pyrrole derivatives * Hammett equation * charges of the substituent active region
OECD category: Physical chemistry
Impact factor: 2.019, year: 2017
https://link.springer.com/article/10.1007%2Fs11224-017-0938-7
Permanent Link: http://hdl.handle.net/11104/0273546 - 6.0475097 - ÚOCHB 2018 RIV US eng J - Journal Article
Stasyuk, Olga A. - Jakubec, Dávid - Vondrášek, Jiří - Hobza, Pavel
Noncovalent Interactions in Specific Recognition Motifs of Protein-DNA Complexes.
Journal of Chemical Theory and Computation. Roč. 13, č. 2 (2017), s. 877-885. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GBP208/12/G016
Institutional support: RVO:61388963
Keywords : density functional theory * side chain interactions * interaction energies
OECD category: Physical chemistry
Impact factor: 5.399, year: 2017
Permanent Link: http://hdl.handle.net/11104/0271969 - 7.0459398 - ÚOCHB 2017 RIV US eng J - Journal Article
Sedlák, Robert - Stasyuk, Olga A. - Guerra, C. F. - Řezáč, Jan - Růžička, A. - Hobza, Pavel
New Insight into the Nature of Bonding in the Dimers of Lappert's Stannylene and Its Ge Analogs: A Quantum Mechanical Study.
Journal of Chemical Theory and Computation. Roč. 12, č. 4 (2016), s. 1696-1704. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GBP208/12/G016
Institutional support: RVO:61388963
Keywords : molecular orbital calculations * transition state method * zeta valence quality
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.245, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259593