Pregled po projektu: Efekt kvantnog tuneliranja: dinamika molekula s kvantnim jezgrama (QuanTunMol) (MB: --IP-2020-02-9932)
Pronađeno 12 radova
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1.Tokić, Nina; Cvitaš, Marko TomislavTunneling Splittings in Vibrationally Excited States of the Water Hexamer Prism // The 7th Faculty of Science PhD Student Symposium (Book of Abstracts)
Zagreb, Hrvatska, 2023. str. 127-127 (poster, sažetak, znanstveni) -
2.Tokić, Nina; Cvitaš, Marko TomislavTunneling Splittings in Vibrationally Excited States of the Water Hexamer Prism // Workshop on Theoretical Chemistry in Mariapfarr 2023
Bad Mitterndorf, Austrija, 2023. (poster, podatak o recenziji nije dostupan, neobjavljeni rad, znanstveni) -
3.Brusar, Vedran; Forjan, Mateo; Ljubić, Ivan; Alešković, Marija; Becker, Kristin; Vdović, SilvijeUltrafast Photoelimination of Nitrogen from Upper Excited States of Diazoalkanes and the Fate of Carbenes Formed in the Reaction // Journal of organic chemistry, 88 (2023), 7; 4286-4300 doi:10.1021/acs.joc.2c02875 (međunarodna recenzija, članak, znanstveni)
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4.Eraković, Mihael; Cvitaš, Marko TomislavVibrational Tunneling Spectra of Molecules with Asymmetric Wells: A Combined Vibrational Configuration Interaction and Instanton Approach // Journal of chemical theory and computation, 18 (2022), 5; 2785-2802 doi:10.1021/acs.jctc.2c00124 (međunarodna recenzija, članak, znanstveni)
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5.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) -
6.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) -
7.Wasowicz, Tomasz J.; Ljubić, Ivan; Kivimäki, Antti; Richter, RobertCore–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study // PCCP. Physical chemistry chemical physics, 24 (2022), 19302-19313 doi:10.1039/D2CP02366K (međunarodna recenzija, članak, znanstveni)
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8.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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9.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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10.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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11.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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12.Totani, Roberta; Ljubić, Ivan; Ciavardini, Alessandra; Grazioli, Cesare; Galdenzi, Federico; de Simone, Monica; Coreno, MarcelloFrontier orbital stability of nitroxyl organic radicals probed by means of inner shell resonantly enhanced valence band photoelectron spectroscopy // PCCP. Physical chemistry chemical physics, 24 (2022), 1993-2003 doi:10.1039/D1CP05264K (međunarodna recenzija, članak, znanstveni)
