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Sapunar, Marin; Meyer, Mackenzie; Ambalampitiya, Harindranath B.; Kushner, Mark J.; Mašín, Zdeněk | Fundamental data for modeling electron-induced processes in plasma remediation of perfluoroalkyl substances // PCCP. Physical chemistry chemical physics, 26 (2024), 40; 26037-26050. doi: 10.1039/d4cp01911c
doipubs.rsc.orgfulir.irb.hr
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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 et al. | Electronic dynamics created at conical intersections and its dephasing in aqueous solution // Nature physics, 21 (2024), 1; 137-145. doi: 10.1038/s41567-024-02703-w
doiwww.nature.comfulir.irb.hr
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Ovad, Tomáš; Sapunar, Marin; Sršeň, Štěpán; Slavíček, Petr; Mašín, Zdeněk; Jones, Nykola C.; Hoffmann, Søren Vrønning; Ranković, Miloš; Fedor, Juraj | Excitation and fragmentation of the dielectric gas C4F7N: Electrons vs photons // The Journal of chemical physics, 158 (2023), 1; 014303, 10. doi: 10.1063/5.0130216
doipubs.aip.orgpubs.aip.org
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Tokić, Nina; Piteša, Tomislav; Prlj, Antonio; Sapunar, Marin; Došlić, Nađa | Advantages and Limitations of Landau-Zener Surface Hopping Dynamics // Croatica chemica acta, 97 (2024), 4; -, 11. doi: 10.5562/cca4133
doihrcak.srce.hrfulir.irb.hr
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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
doipubs.acs.orgfulir.irb.hr
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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
doiwww.mdpi.comdoi.orgfulir.irb.hr
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Coonjobeeharry, J. ; Spinlove, K. E. ; Sanz Sanz, C. ; Sapunar, Marin ; Došlić, Nađa ; Worth, G. A. | Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods // Philosophical transactions - Royal Society. Mathematical, physical and engineering sciences, 380 (2022), 2223; 20200386, 17. doi: 10.1098/rsta.2020.0386
doiroyalsocietypublishing.orgdoi.org
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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
doipubs.acs.orgdoi.org
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Alonso-Jordá, Pedro ; Davidović, Davor ; Sapunar, Marin ; Herrero, José R. ; Quintana- Ortí, Enrique S. | Efficient update of determinants for many- electron wave function overlaps // Computer physics communications, 258 (2021), 107521, 14. doi: 10.1016/j.cpc.2020.107521
doiwww.sciencedirect.comdoi.orgfulir.irb.hr
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Grisanti, Luca ; Sapunar, Marin ; Hassanali, Ali ; Došlić, Nađa | Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study // Journal of the American Chemical Society, 142 (2020), 42; 18042-18049. doi: 10.1021/jacs.0c07134
doipubs.acs.orgdoi.org
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Sapunar, Marin ; Ayari, Tarek ; Došlić, Nađa | Comparative study of the photodynamics of malonaldehyde and acetylacetone // Chemical Physics, 515 (2018), 622-627. doi: 10.1016/j.chemphys.2018.07.042
doidoi.orgwww.sciencedirect.com
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Xie, Weiwei ; Sapunar, Marin ; Došlić, Nađa ; Sala, Matthieu ; Domcke, Wolfgang | Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine // The Journal of chemical physics, 150 (2019), 15; 154119, 12. doi: 10.1063/1.5084961
doiaip.scitation.orgdoi.org
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Sapunar, Marin ; Piteša, Tomislav ; Davidović, Davor ; Došlić, Nađa | Highly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps // Journal of chemical theory and computation, 15 (2019), 6; 3461-3469. doi: 10.1021/acs.jctc.9b00235
doipubs.acs.orgdoi.org
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Knežević, Anamarija ; Sapunar, Marin ; Buljan, Anđela ; Dokli, Irena ; Hameršak, Zdenko ; Kontrec, Darko ; Lesac, Andreja | Fine-tuning effect of p–p interactions on the stability of the NTB phase // Soft matter, 14 (2018), 8466-8474. doi: 10.1039/c8sm01569d
doipubs.rsc.org
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Squibb, R. J. ; Sapunar, Marin ; Ponzi, A. ; Richter, R. ; Kivimäki, A. ; Plekan, O. ; Finetti, P. ; Sisourat, N. ; Zhaunerchyk, V. ; Marchenko, T. et al. | Acetylacetone photodynamics at a seeded free-electron laser // Nature communications, 9 (2018), 1; 63, 7. doi: 10.1038/s41467-017-02478-0
doiwww.nature.comfulir.irb.hr
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Knežević, Anamarija ; Dokli, Irena ; Sapunar, Marin ; Šegota, Suzana ; Baumeister, Ute ; Lesac, Andreja | Induced smectic phase in binary mixture of twist- bend nematogens // Beilstein journal of nanotechnology, 9 (2018), 1297, 11. doi: 10.3762/bjnano.9.122
doiwww.beilstein-journals.org
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Thisuwan, Jittima ; Chaiwongwattana, Sermsiri ; Sapunar, Marin ; Sagarik, Kritsana ; Došlić, Nađa | Photochemical deactivation pathways of microsolvated hydroxylamine // Journal of photochemistry and photobiology. A, Chemistry, 328 (2016), 10-15. doi: 10.1016/j.jphotochem.2016.03.005
doiwww.sciencedirect.com
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Ponzi, Aurora ; Sapunar, Marin ; Angeli, Celestino ; Cimiraglia, Renzo ; Došlić, Nađa ; Decleva, Piero | Photoionization of furan from the ground and excited electronic states // The Journal of chemical physics, 144 (2016), 8; 084307, 12. doi: 10.1063/1.4941608
doiaip.scitation.org
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Chaiwongwattana, Sermsiri ; Sapunar, Marin ; Ponzi, Aurora ; Decleva, Piero ; Došlić, Nađa | Exploration of excited state deactivation pathways of adenine monohydrates // The journal of physical chemistry. A, 119 (2015), 43; 10637-10644. doi: 10.1021/acs.jpca.5b07496
doipubs.acs.org
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Sapunar, Marin ; Ponzi, Aurora ; Chaiwongwattana, Sermsiri ; Mališ, Momir ; Prlj, Antonio ; Decleva, Piero ; Došlić, Nađa | Timescales 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
doipubs.rsc.org
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Kallay, Nikola ; Preočanin, Tajana ; Sapunar, Marin ; Namjesnik, Danijel | Common surface potential of two different crystal planes // Surface innovations, 2 (2013), 3; 142-150. doi: 10.1680/si.13.00029
doiwww.icevirtuallibrary.comdx.doi.org
