Search results
- 1.0522803 - ÚOCHB 2020 US eng A - Abstract
Kaleta, Jiří - Buchanan, E. - Tan, M. - Wen, Jin - Kahr, B. - Císařová, I. - Havlas, Zdeněk - Michl, Josef
Fluorination for control of molecular packing: Singlet fission in 1,3-diphenylisobenzofurans.
Abstracts of papers - American Chemical Society. Roč. 257, Mar 31 (2019), č. článku 22. ISSN 0065-7727.
[American Chemical Society National Meeting and Exposition /257./. 31.03.2019-04.04.2019, Orlando]
Institutional support: RVO:61388963
Keywords : singlet fission * fluorination * molecular packing
OECD category: Organic chemistry
Permanent Link: http://hdl.handle.net/11104/0307279 - 2.0442812 - ÚOCHB 2016 US eng A - Abstract
Havlas, Zdeněk - Akdag, Akin - Smith, M. B. - Dron, P. - Johnson, J. C. - Nozik, A. J. - Michl, Josef
Search for singlet fission chromophores.
244th National Fall Meeting of the American Chemical Society (ACS). Philadelphia: American Chemical Society, 2012. 31PHYS. ISSN 0065-7727.
[National Fall Meeting of the American Chemical Society /244./. 19.08.2012-23.08.2012, Philadelphia]
Institutional support: RVO:61388963
Keywords : singlet fission * chromophores
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0245639 - 3.0435385 - ÚOCHB 2015 CL eng A - Abstract
Havlas, Zdeněk - Michl, Josef
Design of single fission structures: Minimalist diabatic approach including overlap.
WATOC 2014. 10th Congress of the World Association of Theoretical and Computational Chemists. Santiago: -, 2014. IC123.
[WATOC 2014. Congress of the World Association of Theoretical and Computational Chemists /10./. 05.10.2014-10.10.2014, Santiago]
Institutional support: RVO:61388963
Keywords : singlet fission * chromophores * diabatic basis
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0239557 - 4.0435384 - ÚOCHB 2015 CL eng A - Abstract
Wen, Jin - Havlas, Zdeněk - Michl, Josef
Singlet fission: The chromophores and their coupling.
WATOC 2014. 10th Congress of the World Association of Theoretical and Computational Chemists. Santiago: -, 2014. IC119.
[WATOC 2014. Congress of the World Association of Theoretical and Computational Chemists /10./. 05.10.2014-10.10.2014, Santiago]
Institutional support: RVO:61388963
Keywords : singlet fission * chromophores * coupling
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0239556 - 5.0425288 - ÚOCHB 2014 JP eng A - Abstract
Kývala, Mojmír - Chalupský, Jakub - Havlas, Zdeněk - Michl, Josef
Search for a molecule with a measurable electronic energy shift due to parity violation.
5th JCS International Symposium on Theoretical Chemistry. Kyoto: -, 2013. Ok3.
[JCS International Symposium on Theoretical Chemistry /5./. 02.12.2013-06.12.2013, Nara]
Institutional support: RVO:61388963
Keywords : parity violation * electronic energy shift
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0231212 - 6.0425264 - ÚOCHB 2014 JP eng A - Abstract
Havlas, Zdeněk - Jovanovic, M. - Michl, Josef
Modeling dimer structure for efficient singlet fission.
5th JCS International Symposium on Theoretical Chemistry. Kyoto: -, 2013. Oa1.
[JCS International Symposium on Theoretical Chemistry /5./. 02.12.2013-06.12.2013, Nara]
Institutional support: RVO:61388963
Keywords : singlet fission * dimer structure
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0231207 - 7.0195041 - UOCHB-X 20030349 SE eng A - Abstract
Klusák, Vojtěch - Havlas, Zdeněk - Rulíšek, Lubomír - Vondrášek, Jiří - Svatoš, Aleš
Nature of binding of bombykol in pheromone binding protein. An .I.ab initio./I. study.
3rd International Symposium on Insect Pheromones. Bäckaskog Castle: Swedish University of Agricultural Sciences, 2003. s. 70.
[International Symposium on Insect Pheromones /3./. 25.05.2003-29.05.2003, Bäckaskog Castle]
Institutional research plan: CEZ:AV0Z4055905
Keywords : bombykol * .I.ab initio./I. study * interactions
Subject RIV: CC - Organic Chemistry
Permanent Link: http://hdl.handle.net/11104/0090708 - 8.0194967 - UOCHB-X 20030275 CZ eng A - Abstract
Lepšík, Martin - Kříž, Z. - Havlas, Zdeněk
Nanosecond molecular dynamics of HIV protease - inhibitor complexes: insights into the differential binding potency of diasteroisomeres.
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 10, č. 1 (2003), s. 57. ISSN 1211-5894.
[Meeting of the Czech and Slovak Structural Biologists /2./. 13.03.2002-15.03.2002, Nové Hrady]
R&D Projects: GA MŠMT LN00A032; GA ČR GA203/00/0828
Institutional research plan: CEZ:AV0Z4055905
Keywords : HIV protease
Subject RIV: CE - Biochemistry
Permanent Link: http://hdl.handle.net/11104/0090637 - 9.0194966 - UOCHB-X 20030274 CZ eng A - Abstract
Klusák, Vojtěch - Havlas, Zdeněk - Rulíšek, Lubomír - Vondrášek, Jiří - Svatoš, Aleš
Nature of binding of bombykol in pheromone binding protein. An .I.ab initio./I. study.
Materials Structure in Chemistry, Biology, Physics and Technology. Czech and Slovak Crystallographic Association. Roč. 10, č. 1 (2003), s. 54. ISSN 1211-5894.
[Meeting of the Czech and Slovak Structural Biologists /2./. 13.03.2002-15.03.2002, Nové Hrady]
Institutional research plan: CEZ:AV0Z4055905
Keywords : bombykol * pheromone
Subject RIV: CC - Organic Chemistry
Permanent Link: http://hdl.handle.net/11104/0090636 - 10.0194952 - UOCHB-X 20030260 CZ eng A - Abstract
Havlas, Zdeněk
Calculation of excited states: methods, problems, and application to model of parallel benzene dimer.
Workshop on Modeling Interactions in Biomolecules. Nové Hrady: Czech Chemical Society, 2003. s. 27.
[Workshop on Modeling Interactions in Biomolecules. 15.09.2003-20.09.2003, Nové Hrady]
Institutional research plan: CEZ:AV0Z4055905
Keywords : calculation * excited states
Subject RIV: CC - Organic Chemistry
Permanent Link: http://hdl.handle.net/11104/0090622