Pregled po CROSBI profilu: Ivan Ljubić (CROSBI Profil: 17191, MBZ: 231260)
Pronađeno 45 radova
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1.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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2.Brusar, Vedran; Forjan, Mateo; Vdović, Silvije; Basarić, Nikola; Alešković, Marija; Ljubić, IvanUltrafast Transient Absorption of Diazoalkanes // 28th PhotoIUPAC Symposium on Photochemistry : Book of abstracts
Amsterdam, Nizozemska, 2022. str. 233-233 (poster, međunarodna recenzija, sažetak, znanstveni) -
3.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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4.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)
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5.Sviben, Igor; Džeba, Iva; Bonifačić, Marija; Ljubić, IvanKinetics of chain reaction driven by proton- coupled electron transfer: α-hydroxyethyl radical and bromoacetate in buffered aqueous solutions // PCCP. Physical chemistry chemical physics, 23 (2021), 10429-10439 doi:10.1039/D1CP00539A (međunarodna recenzija, članak, znanstveni)
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6.Ljubić, Ivan; Cvitaš, Marko Tomislav; Grazioli, Cesare; Coreno, Marcello; Kazazić, Saša; Novak, IgorVibrationally 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 (međunarodna recenzija, članak, znanstveni)
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7.Nikšić-Franjić, Ivana; Ljubić, IvanComparing the performances of various density functionals for modelling the mechanisms and kinetics of bimolecular free radical reactions in aqueous solution // PCCP. Physical chemistry chemical physics, 21 (2019), 23425-23440 doi:10.1039/C9CP04688G (međunarodna recenzija, članak, ostalo)
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8.Piteša, Tomislav; Stilinović, Vladimir; Ljubić, Ivan; Nemec, Vinko; Cinčić, DominikStructural and DFT study of pyridine and imine nitrogen atoms as halogen bond acceptors: interplay of halogen bonds in the solid state // The Twenty-Sixth Croatian - Slovenian Crystallographic Meeting - Book of abstracts and Programme / Matković-Čalogović, Dubravka ; Popović, Stanko ; Skoko, Željko (ur.).
Zagreb: Croatian Academy of Sciencies and Arts, Croatian Crystallographic Association, 2018. str. 31-31 (predavanje, sažetak, znanstveni) -
9.Džeba, Iva; Bonifačić, Marija; Nikšić-Franjić, Ivana; Ljubić, IvanProton-coupled electron transfer is the dominant mechanism of reduction of haloacetates by the alpha-hydroxyethyl radical in aqueous media // PCCP. Physical chemistry chemical physics, 20 (2018), 19829-19840 doi:10.1039/c8cp03544j (međunarodna recenzija, članak, znanstveni)
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10.Ljubić, Ivan; Kivimäki, Antti; Coreno, Marcello; Kazazić, Saša; Novak, IgorCharacterisation of the electronic structure of galvinoxyl free radical by variable energy UPS, XPS and NEXAFS spectroscopy // PCCP. Physical chemistry chemical physics, 20 (2018), 4; 2480-2491 doi:10.1039/C7CP07266J (međunarodna recenzija, članak, znanstveni)
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11.Piteša, Tomislav; Stilinović, Vladimir; Ljubić, Ivan; Nemec, Vinko; Cinčić, DominikAgonistic-antagonistic effects of multiple halogen bonding in the cocrystals of polytopic donors and acceptors // Solid-State Science & Research - Book of Abstracts / Juribašić Kulcsár, Marina ; Halasz, Ivan (ur.).
Zagreb: Institut Ruđer Bošković, 2017. str. 68-68 (poster, sažetak, znanstveni) -
12.Piteša, Tomislav; Stilinović, Vladimir; Ljubić, Ivan; Cinčić, DominikStructural and DFT study of halogen bond in cocrystal of 1, 4-diiodotetrafluorobenzene and an imine derived from p-phenylenediamine and 3-pyridinecarboxyaldehyde // The Twenty-fourth Croatian-Slovenian Crystallographic Meeting - Book of Abstracts / Bijelić, Mirjana ; Cetina, Mario ; Čobić, Andrea ; Matković-Čalogović, Dubravka ; Popović, Stanko ; Štefanić, Zoran ; Tonejc, Antun ; Višnjevac Aleksandar (ur.).
Zagreb: Hrvatska akademija znanosti i umjetnosti ; Hrvatska kristalografska zajednica, 2016. str. 81-81 (predavanje, sažetak, znanstveni) -
13.Piteša, Tomislav; Stilinović, Vladimir; Ljubić, Ivan; Cinčić, DominikHalogenska veza u kokristalima ditopičnih donora i akceptora // 3. Simpozij studenata kemičara - Knjiga sažetaka / Milas, Ana ; Mikelić, Ana ; Rinkovec, Tamara ; Eraković, Mihael ; Štrbac, Petar (ur.).
Zagreb: Hrvatsko kemijsko društvo, 2016. str. 35-35 (predavanje, sažetak, znanstveni) -
14.Ljubić, Ivan; Sabljić, Aleksandar; Bonifačić, MarijaReactions of 2-Propanol Radical with Halogenated Organics in Aqueous Solution: Theoretical Evidence for Proton-Coupled Electron Transfer and Competing Mechanisms // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 120 (2016), 45; 11810-11820 doi:10.1021/acs.jpcb.6b08765 (međunarodna recenzija, članak, znanstveni)
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15.Ljubić, Ivan; Kivimaki, Antti; Coreno, MarcelloAn experimental NEXAFS and computational TDDFT and delta DFT study of the gas-phase core excitation spectra of nitroxide free radical TEMPO and its analogues // Physical Chemistry Chemical Physics, 18 (2016), 15; 10207-10217 doi:10.1039/C6CP00490C (međunarodna recenzija, članak, znanstveni)
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16.Kovač, Branka; Ljubić, Ivan; Kivimaki, Antti; Coreno, Marcello; Novak, IgorThe study of the electronic structure of some N- heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy // PCCP. Physical chemistry chemical physics, 17 (2015), 16; 10656-10667 doi:10.1039/c5cp00482a (međunarodna recenzija, članak, znanstveni)
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17.Ljubić, IvanReliability of Density Functional and Perturbation Theories for Calculating Core-Ionization Spectra of Free Radicals // Journal of chemical theory and computation, 10 (2014), 6; 2333-2343 doi:10.1021/ct500111n (međunarodna recenzija, članak, znanstveni)
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18.Kovač, Branka; Ljubić, Ivan; Kivimaki, A.; Coreno, M.; Novak, IgorCharacterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy // Physical chemistry chemical physics, 16 (2014), 10734-10742 doi:10.1039/C4CP00867G (međunarodna recenzija, članak, znanstveni)
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19.Mališ, Momir; Loquais, Yohan; Gloaguen, Eric; Jouvet, Christophe; Brenner, Valérie; Mons, Michel; Ljubić, Ivan; Došlić, NađaNon-radiative relaxation of UV photoexcited phenylalanine residues : probing the role of conical intersections by chemical substitution // Physical chemistry chemical physics, 16 (2014), 6; 2285-2288 doi:10.1039/C3CP53953A (međunarodna recenzija, članak, znanstveni)
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20.Ljubić, Ivan; Matasović, Brunislav; Bonifačić, MarijaAn efficient buffer-mediated control between free radical substitution and proton-coupled electron transfer: dehalogenation of iodoethane by the α-hydroxyethyl radical in aqueous solution // Physical Chemistry Chemical Physics, 15 (2013), 41; 18001-18011 doi:10.1039/C3CP53205D (međunarodna recenzija, članak, znanstveni)
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21.Novak, Jurica; Mališ, Momir; Prlj, Antonio; Ljubić, Ivan; Kuehn, Oliver; Došlić, NađaPhotoinduced Dynamics of Formic Acid Monomers and Dimers: The Role of the Double Hydrogen Bond // Journal of physical chemistry. A, 116 (2012), 46; 11467-11475 doi:10.1021/jp3074865 (međunarodna recenzija, članak, znanstveni)
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22.Mališ, Momir; Loquais, Yohan; Gloaguen, Eric; Biswal, Himansu S.; Piuzzi, Francois; Tardivel, Benjamin; Brenner, Valerie; Broquier, Michel; Jouvet, Christophe; Mons, Michel et al.Unraveling the Mechanisms of Nonradiative Deactivation in Model Peptides Following Photoexcitation of a Phenylalanine Residue // Journal of the American Chemical Society, 134 (2012), 50; 20340-20351 doi:10.1021/ja3054942 (međunarodna recenzija, članak, znanstveni)
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23.Ljubić, Ivan; Clary, David C.Quasiclassical trajectory calculations of hydrogen absorption in the (NaAlH4)2Ti system on a model analytical potential energy surface // Physical chemistry chemical physics, 14 (2012), 3915-3921 doi:10.1039/C2CP23689C (međunarodna recenzija, članak, znanstveni)
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24.Churchard, Andrew, J.; Banach, Eva; Borgschulte, Andreas; Caputo, Riccarda; Chen, Jian-Cheng; Clary, David, C.; Fijalkowski, Karol J.; Geerlings, Hans; Genova, Radostina, V.; Grochala, Wojciech et al.A multifaceted approach to hydrogen storage // Physical Chemistry Chemical Physics, 13 (2011), 38; 16955-16972 doi:10.1039/c1cp22312g (međunarodna recenzija, članak, znanstveni)
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25.Ljubić, Ivan; Sabljić, AleksandarCASSCF/CASPT2 and TD-DFT Study of Valence and Rydberg Electronic Transitions in Fluorene, Carbazole, Dibenzofuran, and Dibenzothiophene // Journal of Physical Chemistry A, 115 (2011), 18; 4840-4850 doi:10.1021/jp201618a (međunarodna recenzija, članak, znanstveni)
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26.Ljubić, Ivan; Clary, David C.A Study of Mechanism and Kinetics of Reversible Hydrogen Storage in Titanium Doped Sodium Aluminium Hydride // Nano- and Surface Science Approaches to Production and Storage of Hydrogen / Kroes, Geert-Jan ; Jonsson, Hannes (ur.).
Noordwijkerhout, 2010. (pozvano predavanje, sažetak, znanstveni) -
27.Ljubić, Ivan; Clary, David C.Towards understanding a mechanism for reversible hydrogen storage: theoretical study of transition metal catalysed dehydrogenation of sodium alanate // Physical Chemistry Chemical Physics, 12 (2010), 16; 4012-4023 doi:10.1039/B922617F (međunarodna recenzija, članak, znanstveni)
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28.Ljubić, IvanTowards Understanding a Mechanism of Reversible Hydrogen Storage in Transition Metal Doped Sodium Alanate // The 3rd Meeting of the Marie Curie Research Training Network HYDROGEN "Hydrogen for the Future”
Varšava, Poljska, 2009. (pozvano predavanje, neobjavljeni rad, znanstveni) -
29.Cindrić, Marina; Galin, Gordana; Matković-Čalogović, Dubravka; Novak, Predrag.; Hrenar, Tomica; Ljubić, Ivan; Kajfež Novak, TanjaSynthesis and characterization of three novel molybdenum(VI) complexes: Mononuclear [MoO2(C6H4(O)CH=NCH(COO)CH2C=(O)NH2)], [MoO2(C19H19N2O5)(CH3OH)]Cl . CH3OH and dinuclear [Mo2O4(C6H4(O)CH=NCH(COO)CH2C=(O)NH2)2] // Polyhedron, 28 (2009), 3; 562-568 doi:10.1016/j.poly.2008.11.058 (međunarodna recenzija, članak, znanstveni)
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30.Štefanić, Igor; Ljubić, Ivan; Bonifačić, Marija; Sabljić, Aleksandar; Asmus, Klaus-Dieter; Armstrong, David A.A surprisingly complex aqueous chemistry of the simplest amino acid. A pulse radiolysis and theoretical study on H/D kinetic isotope effects in the reaction of glycine anions with hydroxyl radicals // Physical Chemistry Chemical Physics, 11 (2009), 13; 2256-2267 doi:10.1039/b816353g (međunarodna recenzija, članak, znanstveni)
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31.Došlić, Nađa; Kovačević, Goran; Ljubić, IvanSignature of the Conformational Preferences of Small Peptides: a Theoretical Investigation // Journal of Physical Chemistry A, 111 (2007), 35; 8650-8658 (međunarodna recenzija, članak, znanstveni)
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32.Ljubić, Ivan; Sabljić, AleksandarTheoretical Study of Structure, Vibrational Frequencies and Electronic Spectra of Dibenzofuran and its Polychlorinated Derivatives // Journal of Physical Chemistry A, 111 (2007), 7; 1339-1350 (međunarodna recenzija, članak, znanstveni)
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33.Ljubić, Ivan; Sabljić, AleksandarTheoretical Study of Structure, Vibrational Frequencies, and Electronic Spectra of Polychlorinated Dibenzo-p-dioxins // Journal of Physical Chemistry A, 110 (2006), 13; 4524 - 4534 (međunarodna recenzija, članak, znanstveni)
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34.Ljubić, Ivan; Sabljić, AleksandarDibenzo-p-dioxin. An ab initio CASSCF/CASPT2 Study of the pi-pi* and n-pi* Valence Excited States. // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 36; 8209-8217 (međunarodna recenzija, članak, znanstveni)
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35.Ljubić, Ivan; Sabljić, AleksandarOzonolysis of Fluoroethene. Theoretical Study of Unimolecular Decomposition Paths of Primary and Secondary Fluorozonide // The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 109 (2005), 10; 2381-2393 (međunarodna recenzija, članak, znanstveni)
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36.Ljubić, Ivan; Sabljić, AleksandarFluorocarbonyl oxide: CASSCF/CASPT2 study of structure, cis effect and unimolecular decomposition paths // Chemical physics, 309 (2005), 2-3; 157-165 (međunarodna recenzija, članak, znanstveni)
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37.Ljubić, IvanMehanizmi i kinetike reakcija etena, fluoretena i kloretena s ozonom, 2004., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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38.Ljubić, Ivan; Sabljić, AleksandarCASSCF/CASPT2 study of mechanism and kinetics of the gas-phase ozone additions to ethene, fluoroethene and chloroethene // Brijuni conference: Matter Under Extreme Conditions ; BOOK OF ABSTRACTS / Bosanac, Danko S. (ur.).
Zagreb: Institut Ruđer Bošković, 2004. (poster, sažetak, znanstveni) -
39.Ljubić, Ivan; Sabljić, AleksandarCASSCF/CASPT2 study of mechanism and kinetics of the gas-phase ozone additions to ethene, fluoroethene and chloroethene // "Molecular Quantum Mechanics – ; The No-Nonsense Path to Progress” ; - International Conference in Honor of Prof. N. Handy / Clary, D.C ; Colwell, S.M. ; Schaefer, H.F. (ur.).
Cambridge: Cambridge University, 2004. (poster, sažetak, znanstveni) -
40.Ljubić, Ivan; Sabljić, AleksandarSystematic CASPT2 analysis of the geometry and force field of ozone with extrapolation to the infinite basis set // Chemical physics letters, 385 (2004), 214-219 (međunarodna recenzija, članak, znanstveni)
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41.Ljubić, IvanCASSCF/CASPT2 study of the mechanism and kinetics of the gas-phase ozone additions to ethene, fluoroethene and chloroethene // Brijuni conference: Space, Time and Life / S. Danko Bosanac (ur.).
Zagreb, 2002. (poster, sažetak, ostalo) -
42.Ljubić, Ivan; Sabljić, AleksandarTheoretical Study of Mechanism and Kinetics of the Gas-Phase Ozone Additions to Ethene, Fluoroethene and Chloroethene: A Multireference Approach // Journal of Physical Chemistry A, 106 (2002), 18; 4745-4757 (međunarodna recenzija, članak, znanstveni)
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43.Hršak, Damir; Ljubić, Ivan; Ladić, JosipPostoji li opće prihvaćena znanstvena metoda // Metalurgija, 37 (1998), 1; 51-53 (podatak o recenziji nije dostupan, prilog, ostalo)
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44.Ljubić, IvanKvantno-kemijska istraživanja mehanizama reakcija ozona i ethena, 1998., diplomski rad, Prirodoslovno-matematički fakultet, Zagreb
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45.Hršak, Damir; Ljubić, IvanOptimalni izbor načina priprave praha silicij-nitrida // Proizvodnja i prerada nemetalnih mineralnih sirovina i njihova primjena u industriji / Karić, Asim (ur.).
Zenica: Metalurški fakultet u Zenici, 1998. str. 180-187 (predavanje, međunarodna recenzija, cjeloviti rad (in extenso), stručni)
