Pregled po projektu: Istraživanja Kemijske Reaktivnosti (MB: MZOS-098-0982915-2944)
Pronađeno 28 radova
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1.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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2.Non-First Order Degradation and Time-Dependent Sorption of Organic Chemicals in Soil / Chen, Wenlin ; Sabljić, Aleksandar ; Cryer, Steven A. ; Kookana, Rai S. (ur.). Washington (MD): American Chemical Society (ACS), 2014 (zbornik)
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3.Sabljić, Aleksandar; Nakagawa, YoshiakiSorption and quantitative structure-activity relationship (QSAR) // Non-first order degradation and time-dependent sorption of organic chemicals in soil / Chen, Wenlin ; Sabljić, Aleksandar ; Cryer, Steven A. ; Kookana, Rai S. (ur.).
Washington (MD): American Chemical Society (ACS), 2014. str. 85-118 doi:10.1021/bk-2014-1174.ch005 -
4.Sabljić, Aleksandar; Nakagawa, YoshiakiBiodegradation and quantitative structure-activity relationship (QSAR) // Non-first order degradation and time-dependent sorption of organic chemicals in soil / Chen, Wenlin ; Sabljić, Aleksandar ; Cryer, Steven A. ; Kookana, Rai S. (ur.).
Washington (MD): American Chemical Society (ACS), 2014. str. 57-84 -
5.Chen, Wenlin; Sabljić, Aleksandar; Cryer, Steven A.; Kookana, Rai S.Introduction // Non-first order degradation and time-dependent sorption of organic chemicals in soil / Chen, Wenlin ; Sabljić, Aleksandar ; Cryer, Steven A. ; Kookana, Rai S. (ur.).
Washington (MD): American Chemical Society (ACS), 2014. str. 1-4 doi:10.1021/bk-2014-1174.ch001 -
6.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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7.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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8.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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9.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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10.Kovačević, Goran; Sabljić, AleksandarMechanisms and reaction-path dynamics of hydroxyl radical reactions with aromatic hydrocarbons : The case of chlorobenzene // Chemosphere, 92 (2013), 7; 851-856 doi:10.1016/j.chemosphere.2013.04.041 (međunarodna recenzija, članak, znanstveni)
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11.Sabljić, AleksandarComments on “Ozonation of a mixture of estrogens and progestins in aqueous solution: Interpretation of experimental results by computational methods” by Ekaterina V. Rokhina, Nagarjuna S. Vattikonda, Candice Johnson, Rominder P.S. Suri [Chemosphere 89(11) (2012) 1323-1329] // Chemosphere, 92 (2013), 8; 1062-1063 doi:10.1016/j.chemosphere.2012.12.052 (podatak o recenziji nije dostupan, pismo uredniku, znanstveni)
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12.Kovačević, Goran; Sabljić, AleksandarTheoretical study on the mechanism and kinetics of addition of hydroxyl radicals to fluorobenzene // Journal of computational chemistry, 34 (2013), 8; 646-655 doi:10.1002/jcc.23175 (međunarodna recenzija, članak, znanstveni)
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13.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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14.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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15.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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16.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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17.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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18.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) -
19.Kovačević, GoranRazgradnja halogeniranih aromatskih spojeva u atmosferskim uvjetima, 2010., doktorska disertacija, Prirodoslovno-matematički fakultet, Zagreb
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20.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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21.Katayama, Arata; Bhula, Raj; Burns, G. Richard; Carazo, Elizabeth; Felsot, Allan; Hamilton, Denis; Harris, Caroline; Kim, Yong-Hwa; Kleter, Gijs; Koerdel, Werner et al.Bioavailability of Xenobiotics in the Soil Environment // Reviews of environmental contamination and toxicology, 203 (2010), 1-86 doi:10.1007/978-1-4419-1352-4_1 (međunarodna recenzija, pregledni rad, znanstveni)
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22.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) -
23.Ljubić, Ivan; Clary, David C.Towards Understanding Mechanism of Reversible Hydrogen Storage in Transition Metal Doped Sodium Alanate // Hydrogen for the Future, Marie Curie Research Training Network
Varšava, Poljska, 2009. (predavanje, sažetak, znanstveni) -
24.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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25.Amić, Dragan; Lučić, Bono; Kovačević, Goran; Trinajstić, NenadBond dissociation enthalpies calculated by the PM3 method confirm activity cliffs in radical scavenging of flavonoids // Molecular diversity, 13 (2009), 1; 27-36 doi:10.1007/s11030-008-9095-7 (međunarodna recenzija, članak, znanstveni)
