Pregled po CROSBI profilu: Nađa Došlić (CROSBI Profil: 13257, MBZ: 158946)
Pronađeno 108 radova
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1.Tokić, Nina; Piteša, Tomislav; Sapunar, Marin; Došlić, NađaWhat Can We Learn by Comparing Surface Hopping Algorithms? // Computational Chemistry Day 2022 : Book of Abstracts
Zagreb: Ruđer Bošković Institute, 2022. str. 26-26 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
2.Tokić, Nina; Piteša, Tomislav; Sapunar, Marin; Došlić, NađaWhat Can We Learn by Comparing Surface Hopping Algorithms? // 18th Central European Symposium on Theoretical Chemistry 2022 : Program and Book of Abstracts
Balatonszárszó, Mađarska, 2022. str. 93-93 (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
3.Basarić, Nikola; Draženović, Josip; Došlić, NađaPhotochemical Formation of Aza-Quinone Methides by Dehydration and ESIPT of Aminoarenes // ICESAA : ESAA in optically and magnetically active molecules and materials: theory and experiment : book of abstracts
Kauai (HI), Sjedinjene Američke Države, 2022. str. 43-43 (pozvano predavanje, međunarodna recenzija, sažetak, znanstveni) -
4.Basarić, Nikola; Drazenović, Josip; Rozić, Tomislav; Doslić, NađaExcited state intramolecular proton transfer from nitrogen to carbon // 28th PhotoIUPAC Symposium on Photochemistry : Book of abstracts
Amsterdam, Nizozemska, 2022. str. 93-93 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
5.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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6.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 (međunarodna recenzija, članak, znanstveni)
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7.Milovanović, Branislav; Novak, Jurica; Etinski, Mihajlo; Domcke, Wolfgang; Došlić, NađaOn the propensity of formation of cyclobutane dimers in face-to-face and face-to-back uracil stacks in solution // PCCP. Physical chemistry chemical physics, 24 (2022), 24; 14836-14845 doi:10.1039/d2cp00495j (međunarodna recenzija, članak, znanstveni)
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8.Draženović, Josip; Rožić, Tomislav; Došlić, Nađa; Basarić, NikolaExcited State Intramolecular Proton Transfer (ESIPT) from -NH 2 to the Carbon Atom of a Naphthyl Ring // Journal of organic chemistry, 87 (2022), 9148-9156 doi:10.1021/acs.joc.2c00818& (međunarodna recenzija, članak, znanstveni)
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9.Draženović, Josip; Rožić, Tomislav; Došlić, Nađa; Basarić, NikolaExcited-state intramolecular proton transfer from nitrogen to a C-atom of adjacent aromatic substituent // Central European Conference on Photochemistry/CECP 2022
Bad Hofgastein, Austrija, 2022. str. 16-16 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
10.Tokić, NinaUsporedba algoritama za preskakanje ploha u neadijabatskoj molekularnoj dinamici, 2021., diplomski rad, diplomski, Prirodoslovno-matematički fakultet, Zagreb
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11.Draženović, Josip; Rožić, Tomislav; Došlić, Nađa; Basarić, NikolaExcited State Intramolecular Proton Transfer From Nitrogen To Carbon Atom In Aminobiphenyls // 27th Croatian Meeting of Chemists and Chemical Engineers and 5th Symposium Vladimir Prelog : Book of Abstracts / Marković, Dean ; Meštrović, Ernest ; Namjesnik, Danijel ; Tomašić, Vesna (ur.).
Veli Lošinj: Hrvatsko kemijsko društvo, 2021. str. 59-59 (predavanje, međunarodna recenzija, sažetak, znanstveni) -
12.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) -
13.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) -
14.Piteša, Tomislav; Došlić, NađaAb initio simulation of time-resolved photoelectron spectra of B2u(ππ∗)-excited pyrazine from the surface hopping dynamics // Virtual Winter School on ComputationalChemistry
Virtualno (online), 2021. (predavanje, neobjavljeni rad, znanstveni) -
15.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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16.Milovanović, Branislav; Novak, Jurica; Etinski, Mihajlo; Domcke, Wolfgang; Došlić, NađaSimulation of UV absorption spectra and relaxation dynamics of uracil and uracil–water clusters // PCCP. Physical chemistry chemical physics, 23 (2021), 4; 2594-2604 doi:10.1039/D0CP05618A (međunarodna recenzija, članak, znanstveni)
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17.Novak, Jurica; Mališ, Momir; Došlić, NađaOn the Possible Role of an Intermolecular Charge Transfer State in the Excitation of the Biologically Active Bond of the Retinal Chromophore-counterion Pair // Croatica chemica acta, 93 (2020), 4; 303-310 doi:10.5562/cca3748 (međunarodna recenzija, članak, znanstveni)
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18.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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19.Grisanti, Luca; Sapunar, Marin; Hassanali, Ali; Došlić, NađaToward 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 (međunarodna recenzija, članak, znanstveni)
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20.Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, NađaAnti-Kasha nitrogen photoelimination from diazoalkanes // Book of Abstracts
Zagreb, Hrvatska, 2020. str. 47-47 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
21.Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, NađaPhotoinduced Nitrogen Elimination from Diazoalkanes // Knjiga sažetaka
Zagreb, Hrvatska, 2020. str. 121-121 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni) -
22.Piteša, Tomislav; Alešković, Marija; Becker, Kristin; Basarić, Nikola; Došlić, NađaPhotoelimination of Nitrogen from Diazoalkanes: Involvement of Higher Excited Singlet States in the Carbene Formation // Journal of the American Chemical Society, 142 (2020), 21; 9718-9724 doi:10.1021/jacs.0c02221 (međunarodna recenzija, članak, znanstveni)
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23.Sapunar, Marin; Domcke, Wolfgang; Došlić, NađaUV absorption spectra of DNA bases in the 350– 190 nm range: assignment and state specific analysis of solvation effects // PCCP. Physical chemistry chemical physics, 21 (2019), 41; 22782-22793 doi:10.1039/c9cp04662c (međunarodna recenzija, članak, ostalo)
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24.Xie, Weiwei; Sapunar, Marin; Došlić, Nađa; Sala, Matthieu; Domcke, WolfgangAssessing 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 (međunarodna recenzija, članak, znanstveni)
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25.Alešković, Marija; Piteša, Tomislav; Becker, Kristin; Bohne, Cornelia; Basarić, Nikola; Došlić, NađaAnti-Kasha nitrogen photoelimination from diazoalkanes // 17th Central European Symposium on Theoretical Chemistry, Book of Abstracts
Stadtschlaining, Austrija, 2019. str. 86-86 (poster, podatak o recenziji nije dostupan, sažetak, znanstveni)
