Browse by Author RBI

Cigrang, Léon L. E.; Curchod, Basile F. E.; Ingle, Rebecca A.; Kelly, Aaron; Mannouch, Jonathan R.; Accomasso, Davide; Alijah, Alexander; Barbatti, Mario; Chebbi, Wiem; Došlić, Nađa; Eklund, Elliot C.; Fernandez-Alberti, Sebastian; Freibert, Antonia; González, Leticia; Granucci, Giovanni; Hernández, Federico J.; Hernández-Rodríguez, Javier; Jain, Amber; Janoš, Jiří; Kassal, Ivan; Kirrander, Adam; Lan, Zhenggang; Larsson, Henrik R.; Lauvergnat, David; Le Dé, Brieuc; Lee, Yeha; Maitra, Neepa T.; Min, Seung Kyu; Peláez, Daniel; Picconi, David; Qiu, Zixing; Raucci, Umberto; Robertson, Patrick; Sangiogo Gil, Eduarda; Sapunar, Marin; Schuerger, Peter; Sinnott, Patrick; Tretiak, Sergei; Tikku, Arkin; Vindel-Zandbergen, Patricia; Worth, Graham A.; Agostini, Federica; Gomez, Sandra; Ibele, Lea M.; Prlj, Antonio (2025) Roadmap for molecular benchmarks in nonadiabatic dynamics. The Journal of Physical Chemistry A, 129 (31). pp. 7023-7050. ISSN 1089-5639

Chang, Yi-Ping; Balciunas, Tadas; Yin, Zhong; Sapunar, Marin; Tenorio, Bruno N. C.; Paul, Alexander C.; Tsuru, Shota; Koch, Henrik; Wolf, Jean-Pierre; Coriani, Sonia; Wörner, Hans Jakob (2025) Electronic dynamics created at conical intersections and its dephasing in aqueous solution. Nature Physics, 21 (1). pp. 137-145. ISSN 1745-2473

Tokić, Nina; Piteša, Tomislav; Prlj, Antonio; Sapunar, Marin; Došlić, Nađa (2024) Advantages and Limitations of Landau-Zener Surface Hopping Dynamics. Croatica Chemica Acta, 97 (4). ISSN 0011-1643

Sapunar, Marin; Meyer, Mackenzie; Ambalampitiya, Harindranath B.; Kushner, Mark J.; Mašín, Zdeněk (2024) Fundamental data for modeling electron-induced processes in plasma remediation of perfluoroalkyl substances. Physical Chemistry Chemical Physics, 26 (40). pp. 26037-26050. ISSN 1463-9076

Ponzi, Aurora; Sapunar, Marin; Došlić, Nađa; Decleva, Piero (2022) Discrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions. Molecules, 27 (6). ISSN 1420-3049

Alonso-Jordá, Pedro; Davidović, Davor; Sapunar, Marin; Herrero, José R.; Quintana-Ortí, Enrique S. (2021) Efficient update of determinants for many-electron wave function overlaps. Computer physics communications, 258 . ISSN 0010-4655

Xie, Weiwei; Sapunar, Marin; Došlić, Nađa; Sala, Matthieu; Domcke, Wolfgang (2019) Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine. Journal of Chemical Physics, 150 (15). ISSN 0021-9606

Sapunar, Marin; Piteš, Tomislav; Davidović, Davor; Došlić, Nađa (2019) Highly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps. Journal of Chemical Theory and Computation, 15 (6). pp. 3461-3469. ISSN 1549-9618

Knežević, Anamarija; Dokli, Irena; Sapunar, Marin; Šegota, Suzana; Baumeister, Ute; Lesac, Andreja (2018) Induced smectic phase in binary mixture of twist-bend nematogens. Beilstein Journal of Nanotechnology, 9 . pp. 1297-1307. ISSN 2190-4286

Squibb, R. J.; Sapunar, Marin; Ponzi, A.; Richter, R.; Kivimäki, A.; Plekan, O.; Finetti, P.; Sisourat, N.; Zhaunerchyk, V.; Marchenko, T.; Journel, L.; Guillemin, R.; Cucini, R.; Coreno, M.; Grazioli, C.; Di Fraia, M.; Callegari, C.; Prince, K. C.; Decleva, P.; Simon, M.; Eland, J. H. D.; Došlić, Nađa; Feifel, R.; Piancastelli, M. N. (2018) Acetylacetone photodynamics at a seeded freeelectron laser. Nature Communications, 9 (1). ISSN 2041-1723

Ponzi, Aurora; Sapunar, Marin; Angeli, Celestino; Cimiraglia, Renzo; Došlić, Nađa; Decleva, Piero (2016) Photoionization of furan from the ground and excited electronic states. Journal of Chemical Physics, 144 (8). ISSN 0021-9606

Sapunar, Marin (2021) Toolkits for simulation and interpretation of photoinduced processes: a mixed classical-quantum approach. Doctoral thesis, Sveučilište u Zagrebu, Prirodoslovno-matematički fakultet.