| Theoretical study of the mechanism and kinetics of gas-phase ozone additions to ethene, fluoroethene, and chloroethene: a multireference approach I Ljubić, A Sabljić The Journal of Physical Chemistry A 106 (18), 4745-4757, 2002 | 102 | 2002 |
| A multifaceted approach to hydrogen storage AJ Churchard, E Banach, A Borgschulte, R Caputo, JC Chen, D Clary, ... Physical Chemistry Chemical Physics 13 (38), 16955-16972, 2011 | 92 | 2011 |
| Unraveling the mechanisms of nonradiative deactivation in model peptides following photoexcitation of a phenylalanine residue M Mališ, Y Loquais, E Gloaguen, HS Biswal, F Piuzzi, B Tardivel, ... Journal of the American Chemical Society 134 (50), 20340-20351, 2012 | 78 | 2012 |
| CASSCF/CASPT2 and TD-DFT study of valence and Rydberg electronic transitions in fluorene, carbazole, dibenzofuran, and dibenzothiophene I Ljubić, A Sabljić The Journal of Physical Chemistry A 115 (18), 4840-4850, 2011 | 32 | 2011 |
| Photoinduced dynamics of formic acid monomers and dimers: The role of the double hydrogen bond J Novak, M Malis, A Prlj, I Ljubic, O Kühn, N Došlić The Journal of Physical Chemistry A 116 (46), 11467-11475, 2012 | 31 | 2012 |
| Non-radiative relaxation of UV photoexcited phenylalanine residues: Probing the role of conical intersections by chemical substitution M Mališ, Y Loquais, E Gloaguen, C Jouvet, V Brenner, M Mons, I Ljubić, ... Physical Chemistry Chemical Physics 16 (6), 2285-2288, 2014 | 27 | 2014 |
| Characterisation of the electronic structure of some stable nitroxyl radicals using variable energy photoelectron spectroscopy B Kovač, I Ljubić, A Kivimäki, M Coreno, I Novak Physical Chemistry Chemical Physics 16 (22), 10734-10742, 2014 | 27 | 2014 |
| Towards understanding a mechanism for reversible hydrogen storage: theoretical study of transition metal catalysed dehydrogenation of sodium alanate I Ljubić, DC Clary Physical Chemistry Chemical Physics 12 (16), 4012-4023, 2010 | 25 | 2010 |
| An experimental NEXAFS and computational TDDFT and ΔDFT study of the gas-phase core excitation spectra of nitroxide free radical TEMPO and its analogues I Ljubić, A Kivimäki, M Coreno Physical Chemistry Chemical Physics 18 (15), 10207-10217, 2016 | 24 | 2016 |
| Systematic CASPT2 analysis of the geometry and force field of ozone with extrapolation to the infinite basis set I Ljubić, A Sabljić Chemical physics letters 385 (3-4), 214-219, 2004 | 22 | 2004 |
| 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 … I Stefanic, I Ljubic, M Bonifacic, A Sabljic, KD Asmus, DA Armstrong Physical Chemistry Chemical Physics 11 (13), 2256, 2009 | 20 | 2009 |
| Signature of the conformational preferences of small peptides: a theoretical investigation N Došlić, G Kovačević, I Ljubić The Journal of Physical Chemistry A 111 (35), 8650-8658, 2007 | 19 | 2007 |
| The study of the electronic structure of some N-heterocyclic carbenes (NHCs) by variable energy photoelectron spectroscopy B Kovač, I Ljubić, A Kivimäki, M Coreno, I Novak Physical Chemistry Chemical Physics 17 (16), 10656-10667, 2015 | 17 | 2015 |
| Theoretical Study of Structure, Vibrational Frequencies, and Electronic Spectra of Polychlorinated Dibenzo-p-dioxins I Ljubić, A Sabljić The Journal of Physical Chemistry A 110 (13), 4524-4534, 2006 | 17 | 2006 |
| Fluorocarbonyl oxide: CASSCF/CASPT2 study of structure, cis effect and unimolecular decomposition paths I Ljubić, A Sabljić Chemical physics 309 (2-3), 157-165, 2005 | 17 | 2005 |
| Reliability of density functional and perturbation theories for calculating core-ionization spectra of free radicals I Ljubic Journal of chemical theory and computation 10 (6), 2333-2343, 2014 | 16 | 2014 |
| Dibenzo-p-dioxin. An ab Initio CASSCF/CASPT2 Study of the π−π* and n−π* Valence Excited States I Ljubić, A Sabljić The Journal of Physical Chemistry A 109 (36), 8209-8217, 2005 | 15 | 2005 |
| Ozonolysis of fluoroethene: theoretical study of unimolecular decomposition paths of primary and secondary fluorozonide I Ljubić, A Sabljić The Journal of Physical Chemistry A 109 (10), 2381-2393, 2005 | 15 | 2005 |
| Theoretical study of structure, vibrational frequencies, and electronic spectra of dibenzofuran and its polychlorinated derivatives I Ljubić, A Sabljić The Journal of Physical Chemistry A 111 (7), 1339-1350, 2007 | 14 | 2007 |
| Characterisation of the electronic structure of galvinoxyl free radical by variable energy UPS, XPS and NEXAFS spectroscopy I Ljubić, A Kivimäki, M Coreno, S Kazazić, I Novak Physical Chemistry Chemical Physics 20 (4), 2480-2491, 2018 | 13 | 2018 |
