Dr. Borislav Kovačević
Division of Physical Chemistry
Ruđer Bošković Institute
POB 180
10002 Zagreb
Croatia
Education
B. Sc. in Chemistry, Faculty of Science, University of Zagreb, 1995.
M. Sc. in Organic Chemistry, University of Zagreb, 1999.
Ph. D. in Theoretical Chemistry, University of Zagreb, 2001.
Postdoctoral Fellow, University of Sydney, Australia (prof. Leo Radom group) 2007-2008
Projects
Bis-phosphines as Metal-Free Catalysts for Small Molecules' Activation - Design and Synthesis (project funded by the Croatian Science Foundation)
Awards and Achievements
Croatian National Science Award - Annual award for junior researchers awarded by the Croatian Parliament and the Ministry of Science, Education and Sports of the Republic of Croatia (awarded for design of strong organic bases and proton sponges), 2003.
Lavoslav (Leopold) Ružička Award of the Croatian Chemical Society for Young Scientists, 2004.
Publications - journal articles
Izvorni znanstveni rad
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Dragičević, Ivan ; Barić, Danijela ; Kovačević, Borislav ; Golding, Bernard T. ; Smith, David Matthew | Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context // Chemistry : a European journal, 21 (2015), 16; 6132-6143. doi: 10.1002/chem.201405741
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Kobetić, Renata ; Kazazić, Snježana ; Kovačević, Borislav ; Glasovac, Zoran ; Krstulović, Luka ; Bajić, Miroslav ; Žinić, Biserka | Mass Spectrometry and Theoretical Studies on N-C Bond Cleavages in the N-sulfonylamidino Thymine Derivatives // Journal of the American Society for Mass Spectrometry, 26 (2015), 5; 833-842. doi: 10.1007/s13361-014-1068-8
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Brkić, Hrvoje ; Kovačević, Borislav ; Tomić, Sanja | Human 3-hydroxyanthranilate 3, 4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational study // Molecular biosystems, 11 (2015), 3; 898-907. doi: 10.1039/C4MB00668B
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Barić, Danijela ; Kovačević, Borislav | Towards the Strongest Neutral Organic Superbases Based on Intramolecular H-bonds // Croatica chemica acta, 87 (2014), 4; 459-464. doi: 10.5562/cca2490
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Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Cyclopropenimine as a hydrogen bond acceptor— towards the strongest non-phosphorus superbases // Tetrahedron, 70 (2014), 45; 8571-8576. doi: 10.1016/j.tet.2014.09.068
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Kovačević, Borislav ; Schorr, Pascal ; Qi, Yulin ; Volmer, Dietrich A. | Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion Activation // Journal of the American Society for Mass Spectrometry, 25 (2014), 11; 1974-1986. doi: 10.1007/s13361-014-0972-2
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Kögel, Julius F ; Abacılar, Nuri C ; Weber, Felicia ; Oelkers, Benjamin ; Harms, Klaus ; Kovačević, Borislav ; Sundermeyer, Jörg | Constrained-Geometry Bisphosphazides Derived from 1, 8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical Investigations // Chemistry : a European journal, 20 (2014), 20; 5994-6009. doi: 10.1002/chem.201304498
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Kögel, Julius F. ; Xie, Xiulan ; Baal, Eduard ; Gesevičius, Donatas ; Oelkers, Benjamin ; Kovačević, Borislav ; Sundermeyer, Jörg | Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry // Chemistry : a European journal, 20 (2014), 25; 7670-7685. doi: 10.1002/chem.201402226
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Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen Bonds // Journal of organic chemistry, 78 (2013), 8; 4075-4082. doi: 10.1021/jo400396d
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Kögel, Julius F ; Oelkers, Benjamin ; Kovačević, Borislav ; Sundermeyer, Jörg | A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges : The Run for the Best Chelating Ligand for a Proton // Journal of the American Chemical Society, 35 (2013), 47; 17768-17774. doi: 10.1021/ja409760z
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Maksić, Zvonimir ; Kovačević, Borislav ; Vianello, Robert | Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation : A Theoretical Account // Chemical reviews, 112 (2012), 10; 5240-5270. doi: 10.1021/cr100458v
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Dörr, Felipe A. ; Kovačević, Borislav ; Maksić, Zvonimir B. ; Pinto, Ernani ; Volmer, Dietrich A. | Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers // Journal of the American Society for Mass Spectrometry, 22 (2011), 11; 2011-2020. doi: 10.1007/s13361-011-0223-8
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Sandala, Gregory M. ; Kovačević, Borislav ; Barić, Danijela ; Smith, David M. ; Radom, Leo | On the Reaction of Glycerol Dehydratase with But-3-ene-1, 2-diol // Chemistry : a European journal, 15 (2009), 19; 4865-4873. doi: 10.1002/chem.200802640
doionlinelibrary.wiley.comdoi.org Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Hyperstrong Neutral Organic Bases: Phosphazeno azacalix[3](2, 6)pyridines // Organic letters, 9 (2007), 23; 4709-4712-x
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Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Pyridine and s -triazine as building blocks of nonionic organic superbases - a density functional theory B3LYP study // New journal of chemistry, 31 (2007), 3; 447-457. doi: 10.1039/B617914B
doipubs.rsc.org Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | Derivatives of Azacalix[3](2, 6)pyridine are Strong Neutral Organic Superbases: A DFT Study // Organic letters, 9 (2007), 6; 1101-1104-x
Kovačević, Borislav ; Despotović, Ines ; Maksić, Zvonimir | In Quest of Strong Neutral Organic Bases and Superbases - Supramolecular Systems Containing Four Pyridine Subunits // Tetrahedron letters, 48 (2007), 2; 261-264-x
Kovačević, Borislav ; Maksić, Zvonimir | High basicity of tris-(tetramethylguanidinyl)phosphine imide in the gas phase and acetonitrile - a DFT study // Tetrahedron letters, 47 (2006), 2553-2555-x
Kovačević, Borislav ; Maksić, Zvonimir | High Basicity of Phosphorus Proton Affinity of Tris-(tetramethylguanidinyl)phosphine and Tris-(hexamethyltriaminophosphazenyl)phosphine by the DFT Calculations // Chemical communications, 14 (2006), 1524-1526-x
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Kovačević, Borislav ; Rožman, Marko ; Klasinc, Leo ; Srzić, Dunja ; Maksić, Zvonimir ; Yánez, Manuel | Gas phase structure of protonated histidine and histidine methyl ester - a combined experimental mass spectrometry and theoretical ab initio study // The journal of physical chemistry. A, 109 (2005), 37; 8329-8335. doi: 10.1021/jp053288t
doipubs.acs.orgdoi.org Glasovac, Zoran ; Kovačević, Borislav ; Meštrović, Ernest ; Eckert-Maksić, Mirjana | Synthesis and Properties of Novel Guanidine Bases. N, N', N'' tris(3 dimethylaminopropyl)-guanidine // Tetrahedron letters, 46 (2005), 50; 8733-8736-x
Barić, Danijela ; Kovačević, Borislav ; Maksić, Zvonimir ; Mueller, Thomas | A Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions: An Ab Initio Study of Fluorobenzenes // The journal of physical chemistry. A, 109 (2005), 46; 10594-10606-x
Raab, Volker ; Gauchenova, Ekaterina ; Merkoulov, Alexei ; Harms, Klaus ; Sundermeyer, Jorg ; Kovačević, Borislav ; Maksić, Zvonimir | 1, 8-Bis(hexamethyl-triamino-phosphazenyl)naphthalene, HMPN: A Superbasic Bisphosphazene "Proton Sponge" // Journal of the American Chemical Society, 127 (2005), 45; 15738-15743-x
Gattin, Zrinka ; Kovačević, Borislav ; Maksić, Zvonimir B. | Cooperative intramolecular hydrogen bonding effect and basicity - An ab initio and DFT study of the superbasic properties of N-dimethylaminoalkyl-2, 3-diamino-cyclopropeneimines // European journal of organic chemistry, - (2005), 3206-3213-x
Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir ; Müller, Thomas | The Origin of Aromaticity - The Important Role of the Sigma Electrons in Benzene // ChemPhysChem, 5 (2004), 1352-1364-x
Sleno, Lekha ; Kovačević, Borislav ; Maksić, Zvonimir B. ; Volmer, Dietrich A. | Gas-phase Dissociation Reactions of Protonated Saxitoxin and Neosaxitoxin // Journal of the American Society for Mass Spectrometry, 15 (2004), 462-477-x
Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir B | Basicity of Exceedingly Strong Non-ionic Organic Bases in Acetonitrile - Verkade's Superbase and Some Related Phosphazenes // New journal of chemistry, 28 (2004), 284-288-x
Kovačević, Borislav ; Barić, Danijela ; Maksić, Zvonimir ; Mueller, Thomas | Dominant Role of the Pi Framework in Cyclobutadiene // The journal of physical chemistry. A, 108 (2004), 9126-9133-x
Raab, Volker ; Harms, Klaus ; Sundermeyer, Jorg ; Kovačević, Borislav ; Maksić, Zvonimir B | 1, 8-Bis(dimethylethyleneguanidino)naphthalene, DMEGN: Tailoring the Basicity of Bisguanidine "Proton Sponges" by Experiment and Theory // Journal of organic chemistry, 68 (2003), 23; 8790-8797-x
Kovačević, Borislav ; Maksić, Zvonimir B. ; Primorac, Miljenko | Acidity of Substituted Benzenes - An Ab Initio Study of the Influence of Methoxy, Trifluoromethyl and Trifluoromethoxy Groups by Novel Trichotomy Formula // European journal of organic chemistry, 19 (2003), 18; 3777-3783-x
Kovačević, Borislav ; Glasovac, Zoran ; Maksić, Zvonimir B. | The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of Neutral Organic Molecule: N, N', N''-tris(3-aminopropyl)guanidine and Some Related Systems // Journal of physical organic chemistry, 15 (2002), 11; 765-774-x
Vianello, Robert ; Kovačević, Borislav ; Maksić, Zvonimir B. | In Search for Neutral Organic Superbases - Iminopolyenes and Their Amino Derivatives // New journal of chemistry, 26 (2002), 1324-1328-x
Kovačević, Borislav ; Maksić, Zvonimir B. | The Proton Affinity of the Superbase 1, 8-Bis(tetramethylguanidino)naphthalene and Some Related Compounds - A Theoretical Study // Chemistry : a European journal, 8 (2002), 7; 1694-1702-x
Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert ; Primorac, Miljenko | Computer Aided Design of Organic Superbases - The Role of Intramolecular Hydrogen Bonding // New journal of chemistry, 26 (2002), 1329-1334-x
Kovačević, Borislav ; Liebman, Joel F. ; Maksić, Zvonimir B. | Nibbering's C7H7N: an ab initio study of the structure and electronic properties of benzaldimine and its protonated ion // Journal of the Chemical Society. Perkin Transactions 2 (2001), 9 (2002), -; 1544-1548-x
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Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert | The Proton Affinity of Some Extended pi-Systems Involving Guanidine and Cyclopropenimine Subunits // Journal of the Chemical Society. Perkin Transactions 2 (2001), - (2001), -; 886-891. doi: 10.1039/B101213O
doipubs.rsc.orgdoi.org Kovačević, Borislav ; Maksić, Zvonimir B. | Basicity of some Strong Nitrogen Bases in Acetonitrile // Organic letters, 3 (2001), 10; 1523-1526-x
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Kovačević, Borislav ; Maksić, Zvonimir B. | Absolute Proton Affinity of Some Polyguanidines // Journal of organic chemistry, 65 (2000), 11; 3303-3309. doi: 10.1021/jo991592a
doipubs.acs.org Maksić, Zvonimir B. ; Kovačević, Borislav ; Lesar, Antonija | Antiaromatic Systems - G2 Studies of Benzene and Cyclobutadiene // Chemical Physics, 253 (2000), 59-71
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Maksić, Zvonimir B. ; Barić, Danijela ; Kovačević, Borislav | Absolute proton affinities of biphenyl and its derivatives // Journal of the Chemical Society. Perkin transactions II, 5 (1999), 1011-1017. doi: 10.1039/A808501C
doipubs.rsc.org Maksić, Zvonimir B. ; Kovačević, Borislav | Neutral vs. Zwitterionic Form of Arginine-An Ab Initio Study // Journal of the Chemical Society. Perkin transactions II, (1999), 2623-2629-x
Maksić, Zvonimir B. ; Kovačević, Borislav | Towards the Absolute Proton Affinities of 20 alpha-Amino Acids // Chemical physics letters, 307 (1999), 497-504-x
Maksić, Zvonimir B. ; Kovačević, Borislav | The spatial and electronic structure of highly basic organic molecules: cyclopropeneimines and some related systems // The journal of physical chemistry. A, 103 (1999), 33; 6678-6684-x
Kovačević, Borislav ; Maksić, Zvonimir ; Rademacher, Paul | High basicity of alkylated 2-tetrazenes: an ab initio study // Chemical physics letters, 293 (1998), 3-4; 245-250-x
Kovačević, Borislav ; Maksić, Zvonimir | Toward engineering of very strong organic bases: pronounced proton affinity of molecules possessing imino structural and electronic motif // Chemical physics letters, 288 (1998), 2-4; 289-292-x
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Maksić, Zvonimir ; Kovačević, Borislav | Toward organic superbases: the electronic structure and the absolute proton affinity of quinodiimines and some related compounds // The journal of physical chemistry. A, 102 (1998), 37; 7324-7328. doi: 10.1021/jp981821h
doipubs.acs.org Maksić, Zvonimir B. ; Kovačević, Borislav ; Kovaček, Damir | Simple Ab Initio Model for Calculating the Absolute Proton Affinity of Aromatics // The journal of physical chemistry. A, 101 (1997), 40; 7446-7453-x
Maksić, Zvonimir B. ; Kovaček, Damir ; Kovačević, Borislav | Further Evidence for Existence of the Mills-Nixon Effect - Ab initio study of the Electrophilic Reactivity in Heteroanalogs of Benzocyclopropene // Electronic journal of theoretical chemistry, 1 (1996), 1; 65-78-x
Ostalo
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Maksić, Zvonimir ; Vianello, Robert ; Kovačević, Borislav | O znanstvenoj produktivnosti i kriterijima izvrsnosti // Kemija u industriji : časopis kemičara i tehnologa Hrvatske, 56 (2007), 4; 227-228
hrcak.srce.hr
Publications - conference proceedings
Sažetak izlaganja sa skupa
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Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory ; Smith, David M ; Radom, Leo | QM/MM study of the inactivation of B12-dependent dehydratases by substrate glycerol. // X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications. | Girona: Institut de Quimica Computational, 2012. str. 64-64
xgironaseminar.files.wordpress.com Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory ; Smith, David Matthew ; Radom, Leo | QM/MM study of the inactivation of B12-dependent dehydratases by substrate glycerol.. | 2012. str. 1-1
Barić, Danijela ; Kovačević, Borislav ; Sandala, Gregory M. ; Radom, Leo ; Smith, David Matthew | Glycerol as a Substrate and Inactivator of B12-dependent Dehydratases - a QM/MM Study // Poster sesion III of the Ninth triennial congress of the World Association of Theoretical and Computational Chemists, Santiago de Compostela. | 2011. str. 1-1
Smith, David M. ; Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Radom, Leo | A QM/MM Insvestigation of Enzymatic Diol Dehydration // From Solid State To BioPhysics V - 'From Physics To Life Sciences'. | 2010
Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Smith, David M. | On the mechanism of biological glycerol dehydration using QM/MM techniques // 2010 International Chemical Congress of Pacific Basin Societies. | Lahti, 2010. str. TECH-173-TECH-173
Smith, David M. ; Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Radom Leo | Subtle Differences with Important Consequences in Enzymatic Diol Dehydration // The 5th Central European Conference – Chemistry towards Biology. Book of Abstracts. | Zagreb: Institut Ruđer Bošković, 2010. str. 53-53
Kovačević, Borislav ; Sandala, Gregory ; Barić, Danijela ; Radom, Leo ; Smith, David Matthew | On the Reaction of Glycerol Dehydratase and But-3-ene-1, 2-diol // Vitamin B12 & Corphins, Organometallic Life on Earth, From Microorganisms to Humans. | 2009. str. 1-1
Kovačević, Borislav ; Barić, Danijela ; Smith, David Matthew ; Sandala, Gregory M. ; Radom, Leo | Computational Study of the Catalytic Mechanism of B12-Independent Glycerol Dehydratase (GDH) // The 3rd Adriatic Meeting on Computational Solutions in Life Sciences, Book of Abstracts. | Zagreb: Centre for Computational Solutions in Life Sciences, Rudjer Boskovic Institute, 2009. str. 61-61
Barić, Danijela ; Kovačević, Borislav ; Sandala, Gregory M. ; Smith, David Matthew ; Radom, Leo | Computational Investigation of Enzymatic Dehydration of Glycerol // The 3rd Adriatic Meeting on Computational Solutions in the Life Sciences, Book of Abstracts. | Zagreb: Centre for Computational Solutions in Life Sciences, Rudjer Boskovic Institute, 2009. str. 31-31
Kovačević, Borislav ; Barić, Danijela ; Sandala, Gregory M. ; Sandala, Radom, Leo ; Smith, David M. | A Computational Investigation Of Glycerol Dehydration: To B12 Or Not To B12 // XXI. Hrvatski skup kemičara i kemijskih inženjera Knjiga sažetaka. | Zagreb: Petrokemija Kutina, 2009. str. 47-47
Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigations of Enzyme Mechanisms: An Application to Glycerol Dehydration // TACC 2008 Book of Abstracts. | 2008
Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigations of Enzyme Mechanisms: An Application to the Diol Dehydration // WATOC 2008 Book of Abstracts. | 2008. str. IL076-x
Kovačević, Borislav ; Sandala, Gregory M. ; Radom, Leo ; Smith, David M. | A QM/MM Investigation of the Catalytic Mechanism of Coenzyme B12-Independent Glycerol Dehydratase // WATOC 2008 Book of Abstracts. | 2008
Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigations of Enzyme Mechanisms: An Application to the Dehydration of 1, 2-Diols // International Conference including Biophysics Summer School From Solid State to BioPhysics IV. | 2008
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Kovačević, Borislav ; Barić, Danijela ; Sandala, Greg M. ; Radom, Leo ; Smith, David M. | Computational Investigation of Enzyme Mechanisms: An Application to the B12-Independent Glycerol Dehydratase // Trends in Enzymology "Perspectives en Enzymologie". | 2008
www.tine2008.com Kovačević, Borislav ; Maksić, Zvonimir | Phosphines as record-holder superbases in the gas phase and acetonitrile // XX. jubilarni hrvatski skup kemičara i kemijskih inženjera : Knjiga sažetaka = Book of abstracts. | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007
Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | In search for new organic superbases - pyridine and triazine as building blocks // XX. hrvatski skup kemičara i kemijskih inženjera - Knjiga sažetaka. | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko drustvo, 2007
Despotović, Ines ; Kovačević, Borislav ; Maksić, Zvonimir | In pursuit of the new organic superbases - pyridine and triazine as a building blocks // The 2nd Opatija Meeting on Computational Solutions in the Life Sciences. | Zagreb: Institut Ruđer Bošković, 2007. str. 68-x
Kovačević, Borislav ; Maksić, Zvonimir B. | Design of organic superbases - The influence of hydrogen bond // 2nd Central European Symposium on Theoretical Chemistry. | Nové Hrady, 2003
Kovačević, Borislav ; Maksić, Zvonimir B. ; Vianello, Robert | Design of Organic Superbases and Superacids in silico // XIth International Congress of Quantum Chemistry 2003, Program and Abstracts. | Bonn, 2003. str. A86-x
Kovačević, Borislav ; Glasovac, Zoran ; Maksić, Zvonimir | The Intramolecular Hydrogen Bond and Intrinsic Proton Affinity of N, N’ N’ -tris(3-aminopropyl)guanidine and Some Related Systems // XVIII. Hrvatski skup kemičara i kemijskih inženjera : sažeci. | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI) ; Hrvatsko kemijsko društvo, 2003
Kovačević, Borislav ; Maksić, Zvonimir | The Absolute Proton Affinities of 21 alpha-Amino Acids. | 2001
Kovačević, Borislav ; Maksić, Zvonimir ; Vianello, Robert | The Proton Affinity of Some Extended pi-Systems // European Symposium on Organic Reactivity. Programme and Abstracts. | Zagreb, 2001
Izvorni znanstveni rad
Kovačević, Borislav ; Maksić, Zvonimir B. | Computational Design of Highly Potent Organic Superbases // NIC Symposium 2004. | Jülich: NIC-Directors, Research Centre Juelich, 2004. str. 71-80-x
Publications - Conference journals
Sažetak izlaganja sa skupa
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Tomić, Sanja ; Kovačević, Borislav ; Tomić, Antonija ; Matovina, Mihaela ; Karačić, Zrinka ; Matić, Sara ; Abramić, Marija ; Agić, Dejan | Understanding h.DPP III mechanism – an aid in rationalization of the mutants (in)activity // European biophysics journal, 46, 2017. str. S179-S179
link.springer.comlink.springer.com
Publications - Conference unpublished
Neobjavljeni prilog sa skupa
Mario Damjanović, Borislav Kovačević | Computational design of strong organic hydride donors // Dani e-infrastrukture Srce DEI 2026 | Zagreb, Hrvatska, 28.04.2026-29.04.2026
Mario Damjanović, Borislav Kovačević | Computational Modeling of Phosphorus-Based Metal-Free Hydride Donors // Computational Chemistry Day 2026 | Zagreb, Hrvatska, 09.05.2026-09.05.2026
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Barić, Danijela; Glasovac, Zoran; Despotović, Ines; Kovačević, Borislav | New Insights into Proton Sponges: The Case of Phosphazenyl Phosphines // 20th European Symposium on Organic Reactivity ESOR2025 | Padova, Italija, 09.09.2025-12.09.2025
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Kovačević, Borislav; Barić, Danijela | Computational design of metal free catalyst for CO2 reduction // The 13th Triennial Congress of the World Association of Theoretical and Computational Chemists | Oslo, Norveška, 22.06.2025-27.06.2025
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Kovačević, Borislav | Bis(Phosphazenyl Phosphines) as Potential Metal-Free Catalysts for CO₂ Reduction // 20th European Symposium on Organic Reactivity ESOR2025 | Padova, Italija, 09.09.2025-12.09.2025
www.esor2025.com Škorić, Irena; Barić, Danijela; Glasovac, Zoran; Kovačević, Borislav | Novel metal-free catalysts for CO2 reduction // European Symposium on Organic Chemistry | Kopenhagen, Danska, 29.06.2025-03.07.2025
Matić, Zrinka; Šantak, Maja; Vujaklija, Dušica; Kovačević, Borislav; Kazazić, Saša | DESIGN, STRUCTURE PREDICTION AND MOLECULAR DYNAMICS SIMULATIONS OF THE NEW VACCINE CANDIDATES AGAINST INFLUENZA INFECTION // HDBMB22: From Science to Knowledge | Brela, Hrvatska, 01.01.2022-01.01.2022
Matić, Zrinka; Šantak, Maja; Vujaklija, Dušica; Kovačević, Borislav; Kazazić, Saša | RAČUNALNA EVALUACIJA NOVIH KANDIDATA ZA CJEPIVO PROTIV GRIPE // 6th Faculty of Science PhD Student Symposium | Zagreb, Hrvatska, 23.05.2022-24.05.2022
Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David Matthew ; Kovačević, Borislav | Analysis of glycerol binding within the active site of B12‐dependent diol dehydratase; implications for catalysis and inhibition // 26th Croatian Meeting of Chemists and Chemical Engineers (26HSKIKI) and 4th Symposium Vladimir Prelog | Šibenik, Hrvatska, 09.04.2019-12.04.2019
Bilić, Luka ; Barić , Danijela ; Banhatti, Radha Dilip ; Smith, David Matthew ; Kovačević, Borislav | The Role of Enzyme Dynamics in Understanding of Suicidal Inactivation of B12-dependent Diol Dehydratase // 2nd Mini symposium on radical enzymes | Zagreb, Hrvatska, 18.02.2019-18.02.2019
Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David Matthew ; Kovačević, Borislav | Computational study of glycerol binding within the active site of coenzyme B12-dependent diol dehydratase // Computational Chemistry Day 2019 | Zagreb, Hrvatska, 11.05.2019-11.05.2019
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Bilić, Luka ; Tomin, Marko ; Barić, Danijela ; Kovačević, Boris ; Smith, David Matthew | MD and DFT study of glycerol binding in B12-dependent diol dehydratase // Computational Chemistry Day 2018 | Zagreb, Hrvatska, 12.05.2018-12.05.2018
bib.irb.hr Bilić, Luka ; Tomin, Marko ; Barić, Danijela ; Kovačević, Borislav ; Smith, David Matthew | MD and DFT study of glycerol binding in B12-dependent diol dehydratase // AMBER Molecular Dynamics workshop 2018 i Spring School in Computational Chemistry 2018 @ CSC | Espoo, Finska; Haifa, Izrael, 01.01.2018-01.01.2018
Bilić, Luka ; Barić, Danijela ; Sandala, M. Gregory ; Radom, Leo ; Kovačević, Borislav | QM/MM study of the inactivation of the B12-dependent dehydratases by substrate glycerol // International Congress Engineering of Advanced Materials (ICEAM) | Erlangen, Njemačka, 10.11.2017-12.11.2017
Kokan, Zoran; Kovačević, Borislav; Tzvetkova, Pavleta; Kirin, Srećko I. | Chiral Induction and Hydrogen-Bonded Self-Assembly of Palladium Complexes with Amino Acid Derived Monodentate Phosphine Ligands // 12th International Symposium on Macrocyclic and Supramolecular Chemistry in conjunction with ISACS | Cambridge, Ujedinjeno Kraljevstvo, 02.07.2017-06.07.2017
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Kovačević, Borislav ; Sundermeyer, Jorg ; Kogel, Julius, Barić, Danijela | Design of Superbasic Organosphosphorus Compounds // European Symposium on Organic Reactivity | Kiel, Njemačka, 30.08.2015-04.09.2015
www.sfb677.uni-kiel.de Kovačević, Borislav | Organophosphorus Compounds as a Very Strong Bronsted Bases - A Design of New Proton Sponges // 20th International Conference on Phosphorus Chemistry (ICPC 2014) | Dublin, Irska, 28.06.2014-02.07.2014
Publications - Graded papers
Magistarski rad (znanstveni)
Kovačević, Borislav | Dizajniranje organskih superbaza primjenom kvantno- kemijskih modela / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 1999
Doktorski rad
Kovačević, Borislav | Struktura i protonski afiniteti alfa-amino kiselina / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2001
Diplomski rad (sveučilišni)
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Horvaćanin, Izabela | Proučavanje intramolekulskih vodikovih veza u protonskim spužvama kvantno-kemijskim metodama / Kovačević, Borislav (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2019
zir.nsk.hr Gattin, Zrinka | Influence of the Intramolecular Hydrogen Bonds on the Proton Affinity of Substituted Cyclopropenimines / Maksić, Zvonimir (mentor); Kovačević, Borislav (neposredni voditelj) . | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2003
Other Publications
Radovi sa studija
Borić, Ingo; Horvat, Ian | Novi rezveratrolni derivati kao potencijalno biološki aktivne strukture - dizajn, sinteza i računalno modeliranje / Kovačević, Borislav; Škorić, Irena; Mlakić, Milena (ur.), 2023
Membership in professional associations / societies
• Croatian Chemical Society (Chair of the Section for Theoretical and Computational Chemistry)
• Croatian Society for Theoretical and Mathematical Biology