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Piteša, Tomislav ; Polonius, Severin ; González , Leticia ; Mai, Sebastian
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model // ChemRxiv. 2024. doi: 10.26434/chemrxiv-2024-r1436 |
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Travnikova, Oksana ; Piteša, Tomislav ; Ponzi, Aurora ; Sapunar, Marin ; Squibb, Richard James ; Richter, Robert ; Finetti, Paola; DiFraia, Michele; DeFanis, Alberto ; Mahne, Nicola et al.
Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State // Journal of the American Chemical Society, 144 (2022), 48; 21878-21886. doi: 10.1021/jacs.2c06296 |
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Tokić, Nina ; Piteša, Tomislav ; Sapunar, Marin ; Došlić, Nađa
What Can We Learn by Comparing Surface Hopping Algorithms? // Computational Chemistry Day 2022 : Book of Abstracts. Zagreb: Institut Ruđer Bošković, 2022. str. 26-26 |
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Bedeković, Nikola ; Piteša, Tomislav ; Eraković, Mihael ; Stilinović, Vladimir ; Cinčić, Dominik
Anticooperativity of Multiple Halogen Bonds and Its Effect on Stoichiometry of Cocrystals of Perfluorinated Iodobenzenes // Crystal growth & design, 22 (2022), 4; 2644-2653. doi: 10.1021/acs.cgd.2c00077 |
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Tokić, Nina ; Piteša, Tomislav ; Sapunar, Marin ; Došlić, Nađa
What Can We Learn by Comparing Surface Hopping Algorithms? // 18th Central European Symposium on Theoretical Chemistry
Balatonszárszó, Mađarska, 07.09.2022-10.09.2022 |
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Piteša, Tomislav ; Došlić, Nađa
Ab initio simulation of time-resolved photoelectron spectra of B2u(ππ∗)-excited pyrazine from the surface hopping dynamics" // Virtual Winter School on ComputationalChemistry
Virtualno (online), 15.02.2021-18.02.2021 |
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Piteša, Tomislav ; Sapunar, Marin ; Ponzi, Aurora ; Gelin, Maxim ; Došlić, Nađa ; Domcke, Wolfgang ; Decleva, Piero
Combined Surface-Hopping, Dyson Orbital, and B-Spline Approach for the Computation of Time-Resolved Photoelectron Spectroscopy Signals: The Internal Conversion in Pyrazine // Journal of chemical theory and computation, 17 (2021), 8; 5098-5109. doi: 10.1021/acs.jctc.1c00396 |
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Piteša, Tomislav ; Sapunar, Marin ; Ponzi, Aurora ; Gelin, Maxim ; Došlić, Nađa ; Domcke, Wolfgang ; Decleva, Piero
Mixed quantum-classical approach to the simulation and assignment of the time-resolved photoelectron spectra // MD-GAS COST Action (CA18212): 2nd General Meeting
Virtualno (online), 04.10.2021-08.10.2021 |
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Vuković, Vedran ; Piteša, Tomislav ; Jelsch, Christian ; Wenger, Emmanuel ; Molčanov, Krešimir
An unusual intermolecular interaction between a lone pair and an electron-rich π-electron system of a quinoid dianion // Crystal growth & design, 21 (2021), 10; 5651-5658. doi: 10.1021/acs.cgd.1c00492 |
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Piteša, Tomislav ; Sapunar, Marin ; Ponzi, Aurora ; Gelin, Maxim ; Došlić, Nađa ; Domcke, Wolfgang ; Decleva, Piero
Ab initio simulation oftime-resolved photoelectron spectra by the classical doorway-window approach: a case study of B2u(ππ∗)-excited pyrazine // Light Induced Processes in Physical, Chemical, and Biological Systems
Virtualno (online), 09.06.2021-10.06.2021 |
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