Items where Author is "Sapunar, Marin"

Article

Travnikova, Oksana; Piteša, Tomislav; Ponzi, Aurora; Sapunar, Marin; Squibb, Richard James; Richter, Robert; Finetti, Paola; Di Fraia, Michele; De Fanis, Alberto; Mahne, Nicola; Manfredda, Michele; Zhaunerchyk, Vitali; Marchenko, Tatiana; Guillemin, Renaud; Journel, Loic; Prince, Kevin Charles; Callegari, Carlo; Simon, Marc; Feifel, Raimund; Decleva, Piero; Došlić, Nađa; Piancastelli, Maria Novella (2022) Photochemical Ring-Opening Reaction of 1,3-Cyclohexadiene: Identifying the True Reactive State. Journal of the American Chemical Society, 144 (48). pp. 21878-21886. ISSN 0002-7863

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

Grisanti, Luca; Sapunar, Marin; Hassanali, Ali; Došlić, Nađa (2020) Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study. Journal of the American Chemical Society, 142 (42). pp. 18042-18049. ISSN 0002-7863

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

Thesis

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