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Provedba vrhunskih istraživanja u sklopu Znanstvenog centra izvrsnosti za kvantne i kompleksne sustave te reprezentacije Liejevih algebri
suradnik
Efekt kvantnog tuneliranja: dinamika molekula s kvantnim jezgrama
voditelj
Naziv
Akcije
Tokić, Nina ; Cvitaš, Marko Tomislav
Tunneling Splittings in Vibrationally Excited States of the Water Hexamer Prism // Workshop on Theoretical Chemistry in Mariapfarr 2023
Bad Mitterndorf, Austrija, 28.02.2023-03.03.2023
Tokić, Nina ; Cvitaš, Marko Tomislav
Tunneling Splittings in Vibrationally Excited States of the Water Hexamer Prism // The 7th Faculty of Science PhD Student Symposium (Book of Abstracts). 2023. str. 127-127
Eraković, Mihael ; Cvitaš, Marko Tomislav
Vibrational 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
Eraković, Mihael ; Cvitaš, Marko Tomislav
Tunnelling splitting patterns in some partially deuterated water trimers // PCCP. Physical chemistry chemical physics, 23 (2021), 4240-4254. doi: 10.1039/D0CP06135B
Eraković, Mihael ; Vaillant, Christophe L. ; Cvitaš, Marko T.
Instanton theory of ground-state tunneling splittings with general paths // The Journal of chemical physics, 152 (2020), 8; 084111, 13. doi: 10.1063/1.5145278
Eraković, Mihael ; Cvitaš, Marko Tomislav
Teorija instantona za računanje tuneliranjem uzrokovanog cijepanja vibracijskih stanja u grozdovima vode. 2020. str. 38-38
Eraković, Mihael ; Cvitaš, Marko Tomislav
Tunneling splittings of vibrationally excited states using general instanton paths // The Journal of chemical physics, 153 (2020), 13; 134106, 18. doi: 10.1063/5.0024210
Ljubić, Ivan ; Cvitaš, Marko Tomislav ; Grazioli, Cesare ; Coreno, Marcello ; Kazazić, Saša ; Novak, Igor
Vibrationally resolved valence and core photoionization and photoexcitation spectra of an electron-deficient trivalent boron compound: the case of catecholborane // PCCP. Physical chemistry chemical physics, 22 (2020), 25396-25407. doi: 10.1039/D0CP04822D
Cvitaš, Marko T. ; Richardson, Jeremy O.
Quantum tunnelling pathways of the water pentamer // PCCP. Physical chemistry chemical physics, 22 (2020), 1035-1044. doi: 10.1039/C9CP05561D
Cvitaš, Marko Tomislav ; Richardson, Jeremy O.
Quantum dynamics in water clusters // Molecular spectroscopy and quantum dynamics / Marquardt, Roberto ; Quack, Martin (ur.). St. Louis (MO): Elsevier, 2020. str. 301-326 doi: 10.1016/B978-0-12-817234-6.00014-3
