Radovi u časopisima

Znanstveni i pregledni radovi

• Ponzi, A., Sapunar, M., Došlić, N. & Decleva, P. (2022) Discrimination of Excited States of Acetylacetone through Theoretical Molecular-Frame Photoelectron Angular Distributions. Molecules, 27 (6), 1811, 12 doi:10.3390/molecules27061811.

  doiwww.mdpi.comdoi.orgfulir.irb.hr

• Coonjobeeharry, J., Spinlove, K., Sanz Sanz, C., Sapunar, M., Došlić, N. & Worth, G. (2022) Mixed-quantum-classical or fully-quantized dynamics? A unified code to compare methods. Philosophical transactions - Royal Society. Mathematical, Physical and engineering sciences, 380 (2223), 20200386, 17 doi:10.1098/rsta.2020.0386.

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• Piteša, T., Sapunar, M., Ponzi, A., Gelin, M., Došlić, N., Domcke, W. & Decleva, P. (2021) 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 (8), 5098-5109 doi:10.1021/acs.jctc.1c00396.

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• Alonso-Jordá, P., Davidović, D., Sapunar, M., Herrero, J. & Quintana- Ortí, E. (2021) Efficient update of determinants for many-electron wave function overlaps. Computer physics communications, 258, 107521, 14 doi:10.1016/j.cpc.2020.107521.

  doifulir.irb.hr

• Grisanti, L., Sapunar, M., Hassanali, A. & Došlić, N. (2020) Toward Understanding Optical Properties of Amyloids: A Reaction Path and Nonadiabatic Dynamics Study. Journal of the American Chemical Society, 142 (42), 18042-18049 doi:10.1021/jacs.0c07134.

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• Xie, W., Sapunar, M., Došlić, N., Sala, M. & Domcke, W. (2019) Assessing the performance of trajectory surface hopping methods: Ultrafast internal conversion in pyrazine. The Journal of chemical physics, 150 (15), 154119, 12 doi:10.1063/1.5084961.

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• Sapunar, M., Piteša, T., Davidović, D. & Došlić, N. (2019) Highly Efficient Algorithms for CIS Type Excited State Wave Function Overlaps. Journal of chemical theory and computation, 15 (6), 3461-3469 doi:10.1021/acs.jctc.9b00235.

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• Sapunar, M., Ayari, T. & Došlić, N. (2018) Comparative study of the photodynamics of malonaldehyde and acetylacetone. Chemical physics, 515, 622-627 doi:10.1016/j.chemphys.2018.07.042.

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• Knežević, A., Sapunar, M., Buljan, A., Dokli, I., Hameršak, Z., Kontrec, D. & Lesac, A. (2018) Fine-tuning effect of p–p interactions on the stability of the NTB phase. Soft matter, 14, 8466-8474 doi:10.1039/c8sm01569d.

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• Squibb, R., Sapunar, M., 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., Decleva, P., Simon, M., Eland, J., Došlić, N., Feifel, R. & Piancastelli, M. (2018) Acetylacetone photodynamics at a seeded freeelectron laser. Nature Communications, 9 (1), 63, 7 doi:10.1038/s41467-017-02478-0.

  doiwww.nature.comfulir.irb.hr

• Knežević, A., Dokli, I., Sapunar, M., Šegota, S., Baumeister, U. & Lesac, A. (2018) Induced smectic phase in binary mixture of twist- bend nematogens. Beilstein Journal of Nanotechnology, 9, 1297, 11 doi:10.3762/bjnano.9.122.

  doiwww.beilstein-journals.org

• Thisuwan, J., Chaiwongwattana, S., Sapunar, M., Sagarik, K. & Došlić, N. (2016) Photochemical deactivation pathways of microsolvated hydroxylamine. Journal of photochemistry and photobiology. A, Chemistry, 328, 10-15 doi:10.1016/j.jphotochem.2016.03.005.

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• Ponzi, A., Sapunar, M., Angeli, C., Cimiraglia, R., Došlić, N. & Decleva, P. (2016) Photoionization of furan from the ground and excited electronic states. The Journal of chemical physics, 144 (8), 084307, 12 doi:10.1063/1.4941608.

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• Chaiwongwattana, S., Sapunar, M., Ponzi, A., Decleva, P. & Došlić, N. (2015) Exploration of excited state deactivation pathways of adenine monohydrates. The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 119 (43), 10637-10644 doi:10.1021/acs.jpca.5b07496.

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• Sapunar, M., Ponzi, A., Chaiwongwattana, S., Mališ, M., Prlj, A., Decleva, P. & Došlić, N. (2015) Timescales of N–H bond dissociation in pyrrole: a nonadiabatic dynamics study. PCCP. Physical chemistry chemical physics, 17 (29), 19012-19020 doi:10.1039/C5CP02100F.

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• Kallay, N., Preočanin, T., Sapunar, M. & Namjesnik, D. (2013) Common surface potential of two different crystal planes. Surface innovations, 2 (3), 142-150 doi:10.1680/si.13.00029.

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