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

Bis-phosphines as Metal-Free Catalysts for Small Molecules' Activation - Design and Synthesis (project funded by the Croatian Science Foundation)

• Dimensionally Extended Supramolecular Photoswitchable Assemblies for Ion-pair Recognition - DESPAIR

  12.10.2026 - 11.10.2029 | 199,985.00 EUR

  CroRISIRB

• Bis-phosphines as Metal-Free Catalysts for Small Molecules' Activation - Design and Synthesis - CatDesSyn

  16.12.2024 - 15.12.2027 | 182,275.00 EUR

  CroRISIRB

• „Metal-Free Catalysts for Small Molecules' Activation - Design and Synthesis" - CatDesSyn

  05.04.2024 - 04.04.2025 | 5,250.00 EUR

  CroRISIRB

• Računalno proučavanje mehanizama biološke dehidratacije glicerola

  30.10.2007 - 10.06.2010 | 123,517.00 HRK

  CroRISIRB

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.

Original scientific paper

• Glasovac, Zoran; Kovačević, Borislav; Margetić, Davor | DFT Approach to the Gibbs Energy of Hydride Anion in Acetonitrile by Modelling Hydricities // Croatica chemica acta, 99 (2026), 2; 4247, 9. doi: 10.5562/cca4247

  doi

• Damjanović, Mario; Kovačević, Borislav | Bis(phosphazenyl)phosphines: From Superbases to Superhydrides // Molecules, 31 (2026), 9; 1535-1550. doi: 10.3390/molecules31091535

  doiwww.mdpi.com

• Glasovac, Zoran; Kovačević, Borislav; Margetić, Davor | DFT Investigation into the Role of Superbases as the Auxiliary Groups in CO2 Reduction // Molecules, 31 (2026), 7; 1167-1167. doi: 10.3390/molecules31071167

  doiwww.mdpi.com

• Glasovac, Zoran; Barić, Danijela; Despotović, Ines; Kovačević, Borislav | Phosphazenyl Phosphine Proton Sponges: Does the Proton-Chelating Effect Enhance Their Basicity? // International journal of molecular sciences, 26 (2025), 11; 5058, 17. doi: 10.3390/ijms26115058

  doifulir.irb.hrwww.mdpi.com

• Kögel, Julius F.; Ullrich, Sebastian; Xie, Xiulan; Finger, Lars H.; Kovačević, Borislav; Saame, Jaan; Haljasorg, Tõiv; Leito, Ivo; Sundermeyer, Jörg | The Next Generation of Phosphorus Bisylide Superbases – Synthesis, Structures, Basicity and Proton Self‐Exchange // Chemistry : a European journal, 31 (2025), 19; e202404692, 9. doi: 10.1002/chem.202404692

  doichemistry-europe.onlinelibrary.wiley.comfulir.irb.hr

• Mlakić, Milena; Odak, Ilijana; Barić, Danijela; Talić, Stanislava; Šagud, Ivana; Štefanić, Zoran; Molčanov, Krešimir; Lasić, Zlata; Kovačević, Borislav; Škorić, Irena | New resveratrol analogs as improved biologically active structures: design, synthesis and computational modeling // Bioorganic chemistry, 143 (2024), 106965, 18. doi: 10.1016/j.bioorg.2023.106965

  doiwww.sciencedirect.comdx.doi.orgfulir.irb.hr

• Basuri, Pallab; Safferthal, Marc; Kovačević, Borislav; Schorr, Pascal; Riedel, Jerome; Pagel, Kevin; Volmer, Dietrich A. | Characterization of Anticancer Drug Protomers Using Electrospray Ionization and Ion Mobility Spectrometry–Mass Spectrometry // Journal of the American Society for Mass Spectrometry, 35 (2024), 12; 2869-2876. doi: 10.1021/jasms.4c00233

  doipubs.acs.orgfulir.irb.hr

• Kovačević, Borislav; Šagud, Ivana; Drmić, Katarina Marija; Mlakić, Milena; Škorić, Irena; Babić, Sandra | Experimental and DFT approaches to physico-chemical properties of bioactive resveratrol analogues // Molecules, 29 (2024), 22; 5481, 17. doi: 10.3390/molecules29225481

  doidx.doi.orgwww.mdpi.comfulir.irb.hr

• Mlakić, Milena; Faraho, Ivan; Odak, Ilijana; Kovačević, Borislav; Raspudić, Anamarija; Šagud, Ivana; Bosnar, Martina; Škorić, Irena; Barić, Danijela | Cholinesterase inhibitory and anti-inflammatory activity of the naphtho- and thienobenzo-triazole photoproducts: experimental and computational study // International journal of molecular sciences, 24 (2023), 19; 14676, 21. doi: 10.3390/ijms241914676

  doiwww.mdpi.comdx.doi.orgfulir.irb.hr

• Glasovac, Zoran ; Kovačević, Borislav | Modeling pKa of the Brønsted Bases as an Approach to the Gibbs Energy of the Proton in Acetonitrile // International journal of molecular sciences, 23 (2022), 18; 10576-10592. doi: 10.3390/ijms231810576

  doiwww.mdpi.comfulir.irb.hr

• Bilić, Luka ; Barić, Danijela ; Sandala, Gregory M ; Smith, David M. ; Kovačević, Borislav | Glycerol as a Substrate and Inactivator of Coenzyme B12‐Dependent Diol Dehydratase // Chemistry : a European journal, 27 (2021), 29; 7930-7941. doi: 10.1002/chem.202100416

  doichemistry-europe.onlinelibrary.wiley.comdoi.org

• Schorr, Pascal ; Kovačević, Borislav ; Volmer, Dietrich A. | Overestimation of 3α- over 3β-25-Hydroxyvitamin D3 Levels in Serum: A Mechanistic Rationale for the Different Mass Spectral Properties of the Vitamin D Epimers // Journal of the American Society for Mass Spectrometry, 32 (2021), 4; 1116-1125. doi: 10.1021/jasms.1c00054

  doipubs.acs.orgdoi.org

• Kögel, Julius F. ; Ullrich, Sebastian ; Kovačević, Borislav ; Wagner, Sebastian ; Sundermeyer, Jörg | Mono‐Phosphazenyl Phosphines (R 2 N) 3 P=N–P(NR 2 ) 2 – Strong P‐Bases, P‐Donors, and P‐Nucleophiles for the Construction of Chelates // Zeitschrift für anorganische und allgemeine Chemie, 646 (2020), 13; 923-932. doi: 10.1002/zaac.202000108

  doionlinelibrary.wiley.comdoi.orgfulir.irb.hr

• Ullrich, Sebastian ; Kovačević, Borislav ; Koch, Björn ; Harms, Klaus ; Sundermeyer, Jörg | Design of non-ionic carbon superbases: second generation carbodiphosphoranes // Chemical science, 10 (2019), 41; 9483-9492. doi: 10.1039/c9sc03565f

  doipubs.rsc.orgdoi.org

• Ullrich, Sebastian ; Barić, Danijela ; Xie, Xiulan ; Kovačević, Borislav ; Sundermeyer, Jörg | Basicity Enhancement by Multiple Intramolecular Hydrogen Bonding in Organic Superbase N, N′, N″, N‴-Tetrakis(3- (dimethylamino)propyl)triaminophosphazene // Organic letters, 21 (2019), 22; 9142-9146. doi: 10.1021/acs.orglett.9b03521

  doipubs.acs.orgdoi.org

• Ullrich, Sebastian ; Kovačević, Borislav ; Xie, Xiulan ; Sundermeyer, Jörg | Phosphazenyl Phosphines: The Most Electron-Rich Uncharged Phosphorus Brønsted and Lewis Bases // Angewandte Chemie. International edition, 58 (2019), 30; 10335-10339. doi: 10.1002/anie.201903342

  doidoi.orgonlinelibrary.wiley.com

• Bilić, Luka ; Barić, Danijela ; Banhatti, Radha Dilip ; Smith, David M. ; Kovačević, Borislav | Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase // The journal of physical chemistry. B, Condensed matter, materials, surfaces, interfaces & biophysical, 123 (2019), 29; 6178-6187. doi: 10.1021/acs.jpcb.9b04071

  doidoi.orgpubs.acs.org

• Tomin, Marko ; Tomić, Antonija ; Kovačević, Borislav ; Tomić, Sanja | The Mechanism of Peptide Hydrolysis Catalysed by Dipeptidyl Peptidase III from Bacteroides thetaiotaomicron // Croatica chemica acta, 91 (2018), 2; 187-193. doi: 10.5562/cca3343

  doihrcak.srce.hrfulir.irb.hr

• Kokan, Zoran ; Kovačević, Borislav ; Štefanić, Zoran ; Tzvetkova, Pavleta ; Kirin, Srećko I. | Controlling Orthogonal Self-Assembly through Cis-Trans Isomerization of a Non-Covalent Palladium Complex Dimer // Chemical communications, 54 (2018), 17; 2094-2097. doi: 10.1039/C7CC09537F

  doipubs.rsc.org

• Saadat, Kayvan ; Shiri, Ali ; Kovačević, Borislav | Substituted troponimines: when aromatization of the conjugate acid leads to very strong neutral organic superbases // New journal of chemistry, 42 (2018), 17; 14568-14575. doi: 10.1039/c8nj02349b

  doipubs.rsc.org

• Kovačević, Borislav ; Barić, Danijela ; Babić, Darko ; Bilić, Luka ; Hanževački, Marko ; Sandala, Gregory M. ; Radom, Leo ; Smith, David M. | Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12 // Journal of the American Chemical Society, 140 (2018), 27; 8487-8496. doi: 10.1021/jacs.8b03109

  doipubs.acs.org

• Rzagalinski, Ignacy ; Kovačević, Borislav ; Hainz, Nadine ; Meier, Carola ; Tschernig, Thomas ; Volmer, Dietrich A. | Toward Higher Sensitivity in Quantitative MALDI Imaging Mass Spectrometry of CNS Drugs Using a Nonpolar Matrix // Analytical chemistry, 90 (2018), 21; 12592-12600. doi: 10.1021/acs.analchem.8b02740

  doipubs.acs.org

• Kogel, Julius F. ; Kovačević, Borislav ; Ullrich, Sebastian ; Xie, Xiulan ; Sundermeyer, Jorg | Chelating P2-Bis-phosphazenes with a (R, R)-1, 2- Diaminocyclohexane Skeleton : Two New Chiral Superbases // Chemistry : a European journal, 23 (2017), 11; 2591-2598. doi: 10.1002/chem.201604522

  doionlinelibrary.wiley.com

• Barić, Danijela ; Kovačević, Borislav | Cyclopropenimine as pincer ligand and strong electron donor in proton sponges // Journal of physical organic chemistry, 29 (2016), 12; 750-758. doi: 10.1002/poc.3579

  doionlinelibrary.wiley.com

• Tomić, Antonija ; Kovačević, Borislav ; Tomić, Sanja | Concerted nitrogen inversion and hydrogen bonding to Glu451 are responsible for protein-controlled suppression of the reverse reaction in the human DPP III // PCCP. Physical chemistry chemical physics, 18 (2016), 39; 27245-27256. doi: 10.1039/C6CP04580D

  doipubs.rsc.org

• Barić, Danijela ; Kovačević, Borislav | Designing a next generation of proton sponges: cyclopropeniminophosphazenes as the strongest pincer ligands // Tetrahedron letters, 57 (2016), 3; 442-445. doi: 10.1016/j.tetlet.2015.12.054

  doidx.doi.orgwww.sciencedirect.com

• 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

  doionlinelibrary.wiley.com

• 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

  doilink.springer.com

• 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

  doipubs.rsc.orgpubs.rsc.org

• 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

  doihrcak.srce.hr

• 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

  doiwww.sciencedirect.com

• 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

  doilink.springer.com

• 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

  doionlinelibrary.wiley.com

• 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

  doionlinelibrary.wiley.comonlinelibrary.wiley.com

• 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

  doipubs.acs.org

• 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

  doipubs.acs.org

• 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

  doipubs.acs.org

• 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

  doiwww.springerlink.com

• 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

• 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

• 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

• 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

• 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

• 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

• 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 ; Mueller, Thomas | Dominant Role of the Pi Framework in Cyclobutadiene // The journal of physical chemistry. A, 108 (2004), 9126-9133-x

• Vianello, Robert ; Kovačević, Borislav ; Ambrožić, Gabriela ; Mavri, Janez ; Maksić, Zvonimir | Hydrogen bonding in complex of serine with histidine : computational and spectroscopic study of model compounds // Chemical physics letters, 400 (2004), 1-3; 117-121. doi: 10.1016/j.cplett.2004.10.089

  doiwww.sciencedirect.comdoi.org

• 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 ; 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

• 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 ; 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

• 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

• 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 ; 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

• 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

• 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

• 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, 11 (1999), 2623-2629

• Maksić, Zvonimir B. ; Kovačević, Borislav | Towards the Absolute Proton Affinities of 20 alpha-Amino Acids // Chemical physics letters, 307 (1999), 497-504

• 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

• 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

Other

• Saadat, Kayvan ; Shiri, Ali ; Kovačević, Borislav | Step Forward to Stronger Neutral Organic Superbases: Fused Troponimines // Journal of organic chemistry, 85 (2020), 17; 11375-11381. doi: 10.1021/acs.joc.0c01466

  doi

• 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

Review article (scientific)

• Vazdar, Katarina ; Margetić, Davor ; Kovačević, Borislav ; Sundermeyer, Jörg ; Leito, Ivo ; Jahn, Ullrich | Design of Novel Uncharged Organic Superbases: Merging Basicity and Functionality // Accounts of chemical research, 54 (2021), 15; 3108-3123. doi: 10.1021/acs.accounts.1c00297

  doipubs.acs.orgfulir.irb.hr

Short communication

• Barić, Danijela; Damjanović, Mario; Glasovac, Zoran; Despotović, Ines; Kovačević, Borislav | Protonated bisphosphines: a new class of powerful hydride donors capable of CO2 reduction // Chemical communications, 62 (2026), 16; 4833-4837. doi: 10.1039/d5cc06952a

  doifulir.irb.hrpubs.rsc.org

Conference abstract

• Bulava, Karla; Škorić, Irena; Kovačević, Borislav | SYNTHESIS OF NEW BIS-PHOSPHINES AS METAL-FREE CATALYSTS // SYNTHESIS OF NEW BIS-PHOSPHINES AS METAL-FREE CATALYSTS / Pignataro, Luca (ur.). | Gargnano: Società Chimica Italiana, 2026. str. 137-137

• Mlakić, Milena ; Odak, Ilijana ; Barić, Danijela ; Kovačević, Boris ; Fodor, Lajos ; Horváth, Ottó ; Škorić, Irena | Resveratrol hybrids as cholinesterase inhibitors and antioxidants: synthesis, bio-metal chelating capability and computational study // 28th Croatian Meeting of Chemists and Chemical Engineers (28HSKIKI): Book of Abstracts / Rogošić, Marko (ur.). | Zagreb: Hrvatsko društvo kemijskih inženjera i tehnologa (HDKI), 2023. str. 104-104

  www.hdki.hr

• Barić, Danijela; Dragičević, Ivan; Kovačević, Borislav; Golding, Bernard T.; Smith, David Matthew | Reduction of Ribonucleotide in Prebiotic Conditions // MIPoMat Workshop Innovative Surfaces and Materials 2016, Book of Abstracts. | 2016. str. 23.-23

  mipomat-workshop.irb.hr

• Barić, Danijela ; Dragičević, Ivan ; Kovačević, Borislav | Design of Organophosphorus Superbases with Multiple Intramolecular Hydrogen Bonds // Book of Abstracts. | Dublin, 2014. str. 173-173

• Barić, Danijela ; Kovačević, Borislav ; Sandala, Gregory, M. ; Radom, Leo ; Smith, David, M. | Sucidal Inactivation of B12-dependent Dehydratases – QM//MM Study // ICPOC 21: Book of Abstracts. | Durham: RSC, IUPAC, 2012. str. B09-B09

• 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 ; 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

• 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

• 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

• 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

Original scientific paper

• 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

Conference abstract

• 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

Unpublished conference paper

• Barić, Danijela; Damjanović, Mario; Despotović, Ines; Glasovac, Zoran; Kovačević, Borislav | Unifying Superbases and Hydride Donors within Electron-Rich Bisphosphine Frameworks // 25th International Conference on Phosphorus Chemistry | Montpellier, Francuska, 06.07.2026-09.07.2026

• Despotović, Ines; Damjanović, Mario; Kovačević, Borislav | Tuning the Redox Potentials in Bisphosphine Derivatives: A DFT Investigation // 27th IUPAC International Conference on Physical Organic Chemistry (ICPOC 27) | München, Njemačka, 06.09.2026-10.09.2026

• Damjanović, Mario; Barić, Danijela; Glasovac, Zoran; Despotović, Ines; Kovačević, Borislav | Computational Investigation of Protonated Bisphosphines as Strong Metal‑Free Hydride Donors // 27th IUPAC International Conference on Physical Organic Chemistry (ICPOC 27) | München, Njemačka, 06.09.2026-10.09.2026

• 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

• 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

• 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

  www.esor2025.com

• 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

  watoc2025.no

• 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

• 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

• 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

• 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

• 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

• 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

Master of Science thesis

• Kovačević, Borislav | Dizajniranje organskih superbaza primjenom kvantno- kemijskih modela / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 1999

Doctoral thesis

• Kovačević, Borislav | Struktura i protonski afiniteti alfa-amino kiselina / Maksić, Zvonimir (mentor). | Zagreb, Prirodoslovno-matematički fakultet, Zagreb, 2001

Master's thesis (university)

• Damjanović, Mario | Dizajn nemetalnih katalizatora za redukciju CO2 / Škorić, Irena; Kovačević, Borislav (mentor); Barić, Danijela (neposredni voditelj) . | Zagreb, Fakultet kemijskog inženjerstva i tehnologije, 2025

  repozitorij.fkit.unizg.hr

• Borić, Ingo | Fotokemijska sinteza i molekulsko modeliranje novih klorovih derivata naftotriazola / Škorić, Irena; Kovačević, Borislav (mentor). | Zagreb, Fakultet kemijskog inženjerstva i tehnologije, 2024

• 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

Student works

• 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

• Croatian Chemical Society (Chair of the Section for Theoretical and Computational Chemistry)

• Croatian Society for Theoretical and Mathematical Biology