Department of Physical Chemistry
Theoretical Chemistry Group
Ruđer Bošković Institute
Bijenička cesta 54
P.O. Box 180 HR-10002
1994-1998 Faculty of Science, University of Zagreb, Croatia, BSc in chemistry
1999-2004 Graduate student (Field: chemistry), Faculty of Science, University of Zagreb, Croatia
13 July 2004 Defended PhD thesis “Mechanisms and Kinetics of the Ozone Additions to Ethene, Fluoroethene and Chloroethene” (supervisor: Dr. Sc. A. Sabljić; original in Croatian), Faculty of Science, University of Zagreb, Croatia
2009-2010 Postdoctoral researcher at the Physical and Theoretical Chemistry Laboratory, University of Oxford, United Kingdom (supervisor: Prof. David C. Clary, FRSC)
2009-2010 Fellow of the Marie Curie Research Training Network working on the project “Hydrogen” (http://www.mcrtn-hydrogen.eu/)
2011 Researcher on the project “Advanced Studies on Chemical Reactivity” sponsored by the Croatian Ministry of Science, Education and Sports (principal researcher: Dr. Sc. Aleksandar Sabljić)
2011 Principal researcher on the French-Croatian project (program “Cogito”, Hubert Curien partnership) “Excited States of Peptides in Gas Phase” (with Prof. Michel Mons, CEA Saclay)
Awards and Achievements
1997-1998 Scholarship by the Croatian Ministry of Science, Education and Sports
1998 Prize as the best student of the Chemistry Department of Faculty of Science of the University of Zagreb
1998 The Rector Prize for the best student work
1999 Assistant in laboratory classes (Physical Chemistry Labs I and II) at the Chemistry Department of Faculty of Science of the University of Zagreb
2003-2007 Holding seminars as a part of the Mathematical Methods in Chemistry course at the Chemistry Department of Faculty of Science of the University of Zagreb
I. Ljubić, A. Sabljić, “Theoretical Study of the Mechanism and Kinetics of Gas-Phase Ozone Additions to Ethene, Fluoroethene, and Chloroethene: A Multireference Approach” J. Phys. Chem A, 2002, 106, 4745.
I. Ljubić, A. Sabljić, “Systematic CASPT2 Analysis of the Geometry and Force Field of Ozone with Extrapolation to the Infinite Basis Set” Chem. Phys. Lett., 2004, 385, 214.
I. Ljubić, A. Sabljić, ”Fluorocarbonyl oxide: CASSCF/CASPT2 study of structure, cis effect and unimolecular decomposition paths” Chem. Phys., 2005, 309, 157.
I. Ljubić, A. Sabljić, “Ozonolysis of Fluoroethene. Theoretical Study of Unimolecular Decomposition Paths of Primary and Secondary Fluorozonide” J. Phys. Chem. A, 2005, 109, 2381.
N. Došlić, G. Kovačević, I. Ljubić, “Spectroscopic Signature of Secondary Structure Formation in Peptides: a Theoretical Investigation” J. Phys. Chem. A, 2007, 111, 8650.
I. Štefanić, I. Ljubić, M. Bonifačić, A. Sabljić, K.-D. Asmus, D. A. Armstrong, “A Surprisingly Complex Aqueous Chemistry of the Simplest Amino Acid: A Pulse Radiolysis and Theoretical Study on H/D Kinetic Isotope Effects in Reaction of Glycine Anions with Hydroxyl Radicals” Phys. Chem. Chem. Phys., 2009, 11, 2256.
I. Ljubić, D. C. Clary, “Towards Understanding a Mechanism of Reversible Hydrogen Storage: Theoretical Study of Transition Metal Catalysed Dehydrogenation of Sodium Alanate” Phys. Chem. Chem. Phys., 2010, 12, 4012.
I. Ljubić, A. Sabljić, “CASSCF/CASPT2 and TD-DFT study of Valence and Rydberg Electronic Transitions in Fluorene, Carbazole, Dibenzofuran, and Dibenzothiophene” J. Phys. Chem. A, 2011, 115, 4840.
A. J. Churchard, E. Banach, A. Borgschulte, R. Caputo, J.-C. Chen, D. C. Clary, K. J. Fijalkowski, H. Geerlings, R. V. Genova, W. Grochala, T. Jarońg, J. C. Juanes-Marcos, G.-J. Kroes, I. Ljubić, N. Naujoks, J. K. Nørskov, R. A. Olsen, F. Pendolino, A. Remhof, L. Románszki, A. Tekin, T. Vegge, M. Zächi, A. Züttel, “A multifaceted approach to the hydrogen storage problem”, Phys. Chem. Chem. Phys., 2011, 13, 16955.