Pregled po CROSBI profilu: Aurora Ponzi (CROSBI Profil: 35603, MBZ: 375532)
Pronađeno 11 radova
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1.Ponzi, Aurora; Sapunar, Marin; Došlić, Nađa; Decleva, PieroDiscrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions // Molecules, 27 (2022), 6; 1811, 12 doi:10.3390/molecules27061811 (domaća recenzija, članak, znanstveni)
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2.Tenorio, Bruno Nunes Cabral; Ponzi, Aurora; Coriani, Sonia; Decleva, PieroPhotoionization 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 (međunarodna recenzija, članak, znanstveni)
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3.Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, PieroMixed quantum-classical approach to the simulation and assignment of the time-resolved photoelectron spectra // MD-GAS COST Action (CA18212): 2nd General Meeting
Virtualno (online), 2021. (predavanje, neobjavljeni rad, znanstveni) -
4.Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, PieroAb 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), 2021. (predavanje, neobjavljeni rad, znanstveni) -
5.Piteša, Tomislav; Sapunar, Marin; Ponzi, Aurora; Gelin, Maxim; Došlić, Nađa; Domcke, Wolfgang; Decleva, PieroCombined 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 (međunarodna recenzija, članak, znanstveni)
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6.Ponzi, Aurora; Sapunar, Marin; Došlić, Nađa; Decleva, PieroPhotoionization 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 (međunarodna recenzija, članak, ostalo)
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7.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 (međunarodna recenzija, članak, znanstveni)
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8.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 (međunarodna recenzija, članak, znanstveni)
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9.Toffoli, Daniele; Ponzi, Aurora; Bernes, Elisa; de Simone, Monica; Grazioli, Cesare; Coreno, Marcello; Stredansky, Matus; Cossaro, Albano; Fronzoni, GiovannaCorrelation 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 (međunarodna recenzija, članak, znanstveni)
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10.Chaiwongwattana, Sermsiri; Sapunar, Marin; Ponzi, Aurora; Decleva, Piero; Došlić, NađaExploration of excited state deactivation pathways of adenine monohydrates // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 119 (2015), 43; 10637-10644 doi:10.1021/acs.jpca.5b07496 (međunarodna recenzija, članak, znanstveni)
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11.Sapunar, Marin; Ponzi, Aurora; Chaiwongwattana, Sermsiri; Mališ, Momir; Prlj, Antonio; Decleva, Piero; Došlić, NađaTimescales of N–H bond dissociation in pyrrole: a nonadiabatic dynamics study // PCCP. Physical chemistry chemical physics, 17 (2015), 29; 19012-19020 doi:10.1039/C5CP02100F (međunarodna recenzija, članak, znanstveni)
