| Naziv |
Akcije |
| 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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| Ponzi, Aurora ; Sapunar, Marin ; Došlić, Nađa ; Decleva, Piero
Discrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions // Molecules, 27 (2022), 6; 1811, 12. doi: 10.3390/molecules27061811 |
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| Tenorio, Bruno Nunes Cabral ; Ponzi, Aurora ; Coriani, Sonia ; Decleva, Piero
Photoionization observables from multi-reference dyson orbitals coupled to B-spline DFT and TD-DFT continuum // Molecules, 27 (2022), 4; 1203, 18. doi: 10.3390/molecules27041203 |
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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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| 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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| Ponzi, Aurora ; Sapunar, Marin ; Došlić, Nađa ; Decleva, Piero
Photoionization of pyrrole from the B_2 state: a computational study on the effects of Rydberg–valence mixing // Theoretical chemistry accounts, 139 (2020), 8; 137, 8. doi: 10.1007/s00214-020-02649-1 |
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| Kushawaha, Rajesh K. ; Ponzi, Aurora ; Guillemin, Renaud ; Travnikova, Oksana ; Patanen, Minna ; Nandi, Saikat ; Goldsztejn, Gildas ; Journel, Loïc ; Marchenko, Tatiana ; Simon, Marc et al.
Multi-slit-type interference in carbon 2s photoionization of polyatomic molecules: from a fundamental effect to structural parameters // PCCP. Physical chemistry chemical physics, 21 (2019), 25; 13600-13610. doi: 10.1039/c9cp00723g |
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| Ponzi, Aurora ; Quadri, N. ; Angeli, C. ; Decleva, P.
Electron correlation effects in the photoionization of CO and isoelectronic diatomic molecules // PCCP. Physical chemistry chemical physics, 21 (2019), 4; 1937-1951. doi: 10.1039/c8cp06103c |
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| Toffoli, Daniele ; Ponzi, Aurora ; Bernes, Elisa ; de Simone, Monica ; Grazioli, Cesare ; Coreno, Marcello ; Stredansky, Matus ; Cossaro, Albano ; Fronzoni, Giovanna
Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study // The Journal of chemical physics, 151 (2019), 13; 134306, 8. doi: 10.1063/1.5120175 |
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