I. Ljubić

发表

Comparing the performances of various density functionals for modelling the mechanisms and kinetics of bimolecular free radical reactions in aqueous solution.

Ivana Nikšić-Franjić, I. Ljubić, I. Nikšić-Franjić, 2019, Physical chemistry chemical physics : PCCP.

Kinetics of chain reaction driven by proton-coupled electron transfer: α-hydroxyethyl radical and bromoacetate in buffered aqueous solutions.

I. Ljubić, I. Sviben, I. Džeba, 2021, Physical chemistry chemical physics : PCCP.

Proton-coupled electron transfer is the dominant mechanism of reduction of haloacetates by the α-hydroxyethyl radical in aqueous media.

Ivana Nikšić-Franjić, I. Ljubić, I. Džeba, 2018, Physical chemistry chemical physics : PCCP.

Systematic CASPT2 analysis of the geometry and force field of ozone with extrapolation to the infinite basis set

I. Ljubić, A. Sabljic, 2004 .

Influence of Chemically Inert Cations on the Hydrogen-bond Network in the Bray-Liebhafsky Oscillatory Reaction

I. Ljubić, D. Stanisavljev, Maja C. Milenković, 2014 .

Fluorocarbonyl oxide: CASSCF/CASPT2 study of structure, cis effect and unimolecular decomposition paths

I. Ljubić, A. Sabljic, 2005 .

Synthesis and characterization of three novel molybdenum(VI) complexes: Mononuclear [MoO2(C6H4(O)CHNCH(COO)CH2C(O)NH2)], [MoO2(C19H19N2O5)(CH3OH)]Cl · CH3OH and dinuclear [Mo2O4(C6H4(O)CHNCH(COO)CH2C(O)NH2)2]

I. Ljubić, M. Cindrić, P. Novak, 2009 .

A multifaceted approach to hydrogen storage.

A. Remhof, J. Nørskov, B. Kasemo, 2011, Physical chemistry chemical physics : PCCP.

Polycationic Monomeric and Homodimeric Asymmetric Monomethine Cyanine Dyes with Hydroxypropyl Functionality—Strong Affinity Nucleic Acids Binders

A. Vasilev, I. Piantanida, M. Kralj, 2021, Biomolecules.

Characterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy.

M. Coreno, I. Novák, I. Ljubić, 2014, Physical chemistry chemical physics : PCCP.

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.

I. Ljubić, D. Armstrong, K. Asmus, 2009, Physical chemistry chemical physics : PCCP.

Unraveling the mechanisms of nonradiative deactivation in model peptides following photoexcitation of a phenylalanine residue.

Himansu S. Biswal, V. Brenner, I. Ljubić, 2012, Journal of the American Chemical Society.

Non-radiative relaxation of UV photoexcited phenylalanine residues: probing the role of conical intersections by chemical substitution.

V. Brenner, I. Ljubić, M. Mališ, 2014, Physical chemistry chemical physics : PCCP.

Photoinduced dynamics of formic acid monomers and dimers: the role of the double hydrogen bond.

Antonio Prlj, Nađa Došlić, Oliver Kühn, 2012, The journal of physical chemistry. A.

Signature of the conformational preferences of small peptides: a theoretical investigation.

G. Kovačević, I. Ljubić, N. Došlić, 2007, The journal of physical chemistry. A.

Ultrafast Photoelimination of Nitrogen from Upper Excited States of Diazoalkanes and the Fate of Carbenes Formed in the Reaction.

I. Ljubić, S. Vdović, Marija Alešković, 2023, The Journal of organic chemistry.

Reactions of 2-Propanol Radical with Halogenated Organics in Aqueous Solution: Theoretical Evidence for Proton-Coupled Electron Transfer and Competing Mechanisms.

I. Ljubić, A. Sabljic, M. Bonifačić, 2016, The journal of physical chemistry. B.

Reliability of Density Functional and Perturbation Theories for Calculating Core-Ionization Spectra of Free Radicals.

I. Ljubić, 2014, Journal of chemical theory and computation.

The study of the electronic structure of some N-heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy.

M. Coreno, I. Novák, I. Ljubić, 2015, Physical chemistry chemical physics : PCCP.

Theoretical study of structure, vibrational frequencies, and electronic spectra of dibenzofuran and its polychlorinated derivatives.

I. Ljubić, A. Sabljic, 2007, The journal of physical chemistry. A.

CASSCF/CASPT2 and TD-DFT study of valence and Rydberg electronic transitions in fluorene, carbazole, dibenzofuran, and dibenzothiophene.

I. Ljubić, A. Sabljic, 2011, The journal of physical chemistry. A.

Quasiclassical trajectory calculations of hydrogen absorption in the (NaAlH4)2Ti system on a model analytical potential energy surface.

D. Clary, I. Ljubić, 2012, Physical chemistry chemical physics : PCCP.

Characterisation of the electronic structure of galvinoxyl free radical by variable energy UPS, XPS and NEXAFS spectroscopy.

M. Coreno, I. Novák, I. Ljubić, 2018, Physical chemistry chemical physics : PCCP.

Theoretical Study of the Mechanism and Kinetics of Gas-Phase Ozone Additions to Ethene, Fluoroethene, and Chloroethene: A Multireference Approach

Aleksandar Sabljić, Ivan Ljubić, I. Ljubić, 2002 .

Towards understanding a mechanism for reversible hydrogen storage: theoretical study of transition metal catalysed dehydrogenation of sodium alanate.

David C Clary, Ivan Ljubić, D. Clary, 2010, Physical chemistry chemical physics : PCCP.

An efficient buffer-mediated control between free radical substitution and proton-coupled electron transfer: dehalogenation of iodoethane by the α-hydroxyethyl radical in aqueous solution.

I. Ljubić, M. Bonifačić, Brunislav Matasović, 2013, Physical chemistry chemical physics : PCCP.

Core-shell excitation of isoxazole at the C, N, and O K-edges - an experimental NEXAFS and theoretical TD-DFT study.

T. Wasowicz, I. Ljubić, A. Kivimäki, 2022, Physical chemistry chemical physics : PCCP.

Morphological variability of leaves of Sorbus domestica L. in Croatia

I. Poljak, I. Ljubić, M. Idžojtić, 2015 .

An experimental NEXAFS and computational TDDFT and ΔDFT study of the gas-phase core excitation spectra of nitroxide free radical TEMPO and its analogues.

M. Coreno, I. Ljubić, A. Kivimäki, 2016, Physical chemistry chemical physics : PCCP.

Vibrationally resolved valence and core photoionization and photoexcitation spectra of an electron-deficient trivalent boron compound: the case of catecholborane.

Marko T. Cvitas, M. Coreno, C. Grazioli, 2020, Physical chemistry chemical physics : PCCP.

A multifaceted approach to hydrogen storage.

A. Remhof, J. Nørskov, B. Kasemo, 2011, Physical chemistry chemical physics : PCCP.

Inferior Angle of the Scapula as a Vascularized Bone Graft: An Anatomic Study

I. Ljubić, R. Acland, G. Tobin, 2000, Journal of reconstructive microsurgery.

Towards understanding a mechanism for reversible hydrogen storage: theoretical study of transition metal catalysed dehydrogenation of sodium alanate.

D. Clary, I. Ljubić, 2010, Physical chemistry chemical physics : PCCP.

Evidence for efficient anchoring in nitroxyl radical thin films: an experimental XPS/NEXAFS and theoretical DFT/TD-DFT study

M. Coreno, C. Grazioli, N. Tsud, 2024, Journal of Materials Chemistry C.

Time-resolved spectroscopic and computational study of the initial events in doxazosin photochemistry.

I. Ljubić, I. Džeba, Leo Mandić, 2023, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.