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  1. Computational Study of Glycerol Binding within the Active Site of Coenzyme B12-Dependent Diol Dehydratase

    Article • The Journal of Physical Chemistry B, June 2019, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  2. Phosphazenylphosphine: Die elektronenreichsten ungeladenen Brønsted‐ und Lewis‐Phosphor‐Basen

    Article • Angewandte Chemie, June 2019, Wiley

    Dr Borislav Kovacevic

  3. Design of non-ionic carbon superbases: second generation carbodiphosphoranes

    Article • Chemical Science, January 2019, Royal Society of Chemistry

    Dr Borislav Kovacevic

  4. Toward Higher Sensitivity in Quantitative MALDI Imaging Mass Spectrometry of CNS Drugs Using a Nonpolar Matrix

    Article • Analytical Chemistry, September 2018, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  5. Computational Tale of Two Enzymes: Glycerol Dehydration With or Without B12

    Article • Journal of the American Chemical Society, June 2018, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  6. Controlling orthogonal self-assembly through cis–trans isomerization of a non-covalent palladium complex dimer

    Article • Chemical Communications, January 2018, Royal Society of Chemistry

    Dr Borislav Kovacevic

  7. Substituted troponimines: when aromatization of the conjugate acid leads to very strong neutral organic superbases

    Article • New Journal of Chemistry, January 2018, Royal Society of Chemistry

    Dr Borislav Kovacevic

  8. The Mechanism of Peptide Hydrolysis Catalysed by Dipeptidyl Peptidase III from Bacteroides thetaiotaomicron

    Article • Croatica Chemica Acta, January 2018, Croatian Chemical Society

    Dr Borislav Kovacevic

  9. Chelating P2-Bis-phosphazenes with a (R ,R )-1,2-Diaminocyclohexane Skeleton: Two New Chiral Superbases

    Article • Chemistry - A European Journal, January 2017, Wiley

    Dr Borislav Kovacevic

  10. Cyclopropenimine as pincer ligand and strong electron donor in proton sponges

    Article • Journal of Physical Organic Chemistry, May 2016, Wiley

    Dr Borislav Kovacevic

  11. Concerted nitrogen inversion and hydrogen bonding to Glu451 are responsible for protein-controlled suppression of the reverse reaction in human DPP III

    Article • Physical Chemistry Chemical Physics, January 2016, Royal Society of Chemistry

    Dr Borislav Kovacevic

  12. Designing a next generation of proton sponges: cyclopropeniminophosphazenes as the strongest pincer ligands

    Article • Tetrahedron Letters, January 2016, Elsevier

    Dr Borislav Kovacevic

  13. Mass Spectrometry and Theoretical Studies on N–C Bond Cleavages in the N-Sulfonylamidino Thymine Derivatives

    Article • Journal of the American Society for Mass Spectrometry, March 2015, Springer Science + Business Media

    Dr Borislav Kovacevic

  14. Non-enzymatic Ribonucleotide Reduction in the Prebiotic Context

    Article • Chemistry - A European Journal, March 2015, Wiley

    Dr Borislav Kovacevic

  15. Human 3-hydroxyanthranilate 3,4-dioxygenase (3HAO) dynamics and reaction, a multilevel computational study

    Article • Molecular BioSystems, January 2015, Royal Society of Chemistry

    Dr Borislav Kovacevic

  16. Cyclopropenimine as a hydrogen bond acceptor—towards the strongest non-phosphorus superbases

    Article • Tetrahedron, November 2014, Elsevier

    Dr Borislav Kovacevic

  17. Decay Mechanisms of Protonated 4-Quinolone Antibiotics After Electrospray Ionization and Ion Activation

    Article • Journal of the American Society for Mass Spectrometry, September 2014, Springer Science + Business Media

    Dr Borislav Kovacevic

  18. Superbasic Alkyl-Substituted Bisphosphazene Proton Sponges: Synthesis, Structural Features, Thermodynamic and Kinetic Basicity, Nucleophilicity and Coordination Chemistry

    Article • Chemistry - A European Journal, May 2014, Wiley

    Dr Borislav Kovacevic

  19. Constrained-Geometry Bisphosphazides Derived from 1,8-Diazidonaphthalene: Synthesis, Spectroscopic Characteristics, Structural Features, and Theoretical Investigations

    Article • Chemistry - A European Journal, March 2014, Wiley

    Dr Borislav Kovacevic

  20. Towards the Strongest Neutral Organic Superbases Based on Intramolecular H-bonds

    Article • Croatica Chemica Acta, January 2014, Croatian Chemical Society

    Dr Borislav Kovacevic

  21. 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

    Article • Journal of the American Chemical Society, November 2013, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  22. Design of Superbasic Guanidines: The Role of Multiple Intramolecular Hydrogen Bonds

    Article • The Journal of Organic Chemistry, March 2013, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  23. Advances in Determining the Absolute Proton Affinities of Neutral Organic Molecules in the Gas Phase and Their Interpretation: A Theoretical Account

    Article • Chemical Reviews, August 2012, American Chemical Society (ACS)

    Dr Robert Vianello, Dr Borislav Kovacevic

  24. Intriguing Differences in the Gas-Phase Dissociation Behavior of Protonated and Deprotonated Gonyautoxin Epimers

    Article • Journal of the American Society for Mass Spectrometry, August 2011, American Chemical Society (ACS)

    Dietrich Volmer, Dr Borislav Kovacevic

  25. On the Reaction of Glycerol Dehydratase with But-3-ene-1,2-diol

    Article • Chemistry - A European Journal, May 2009, Wiley

    Dr Borislav Kovacevic

  26. Hyperstrong Neutral Organic Bases:  Phosphazeno Azacalix[3](2,6)pyridines

    Article • Organic Letters, November 2007, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  27. Derivatives of Azacalix[3](2,6)pyridine are Strong Neutral Organic Superbases:  A DFT Study

    Article • Organic Letters, March 2007, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  28. Pyridine and s-triazine as building blocks of nonionic organic superbases—a density functional theory B3LYP study

    Article • New Journal of Chemistry, January 2007, Royal Society of Chemistry

    Dr Borislav Kovacevic

  29. In quest of strong neutral organic bases and superbases—supramolecular systems containing four pyridine subunits

    Article • Tetrahedron Letters, January 2007, Elsevier

    Dr Borislav Kovacevic

  30. High basicity of tris-(tetramethylguanidinyl)-phosphine imide in the gas phase and acetonitrile—a DFT study

    Article • Tetrahedron Letters, April 2006, Elsevier

    Dr Borislav Kovacevic

  31. High basicity of phosphorus–proton affinity of tris-(tetramethylguanidinyl)phosphine and tris-(hexamethyltriaminophosphazenyl)phosphine by DFT calculations

    Article • Chemical Communications, January 2006, Royal Society of Chemistry

    Dr Borislav Kovacevic

  32. Synthesis and properties of novel guanidine bases. N,N′,N″-Tris(3-dimethylaminopropyl)-guanidine

    Article • Tetrahedron Letters, December 2005, Elsevier

    Dr Borislav Kovacevic

  33. 1,8-Bis(hexamethyltriaminophosphazenyl)naphthalene, HMPN:  A Superbasic Bisphosphazene “Proton Sponge”

    Article • Journal of the American Chemical Society, November 2005, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  34. A Novel Approach in Analyzing Aromaticity by Homo- and Isostructural Reactions:  An ab Initio Study of Fluorobenzenes

    Article • The Journal of Physical Chemistry A, November 2005, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  35. Gas-Phase Structure of Protonated Histidine and Histidine Methyl Ester:  Combined Experimental Mass Spectrometry and Theoretical ab Initio Study

    Article • The Journal of Physical Chemistry A, September 2005, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  36. Cooperative Intramolecular Hydrogen Bonding Effect and Basicity -An Ab Initio and DFT Study of the Superbasic Properties ofN-[(Dimethylamino)alkyl]-2,3-diaminocycloprop-2-ene-1-imines

    Article • European Journal of Organic Chemistry, August 2005, Wiley

    Dr Borislav Kovacevic

  37. Hydrogen bonding in complex of serine with histidine: computational and spectroscopic study of model compounds

    Article • Chemical Physics Letters, December 2004, Elsevier

    Dr Robert Vianello, Dr Borislav Kovacevic

  38. Dominant Role of the π Framework in Cyclobutadiene

    Article • The Journal of Physical Chemistry A, October 2004, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  39. The Origin of Aromaticity: Important Role of the Sigma Framework in Benzene

    Article • ChemPhysChem, September 2004, Wiley

    Dr Borislav Kovacevic

  40. Gas-phase dissociation reactions of protonated saxitoxin and neosaxitoxin

    Article • Journal of the American Society for Mass Spectrometry, April 2004, American Chemical Society (ACS)

    Dietrich Volmer, Dr Borislav Kovacevic

  41. Basicity of exceedingly strong non-ionic organic bases in acetonitrile —Verkade's superbase and some related phosphazenes

    Article • New Journal of Chemistry, January 2004, Royal Society of Chemistry

    Dr Borislav Kovacevic

  42. 1,8-Bis(dimethylethyleneguanidino)naphthalene:  Tailoring the Basicity of Bisguanidine “Proton Sponges” by Experiment and Theory

    Article • The Journal of Organic Chemistry, October 2003, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  43. Computer aided design of organic superbases: the role of intramolecular hydrogen bonding

    Article • New Journal of Chemistry, January 2002, Royal Society of Chemistry

    Dr Robert Vianello, Dr Borislav Kovacevic

  44. In search of neutral organic superbases—iminopolyenes and their amino derivatives

    Article • New Journal of Chemistry, January 2002, Royal Society of Chemistry

    Dr Robert Vianello, Dr Borislav Kovacevic

  45. The intramolecular hydrogen bond and intrinsic proton affinity of neutral organic molecules:N,N ?,N ?-tris (3-aminopropyl)guanidine and some related systems

    Article • Journal of Physical Organic Chemistry, January 2002, Wiley

    Dr Borislav Kovacevic

  46. Basicity of Some Organic Superbases in Acetonitrile

    Article • Organic Letters, May 2001, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  47. Absolute Proton Affinity of Some Polyguanides

    Article • The Journal of Organic Chemistry, June 2000, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  48. Spatial and Electronic Structure of Highly Basic Organic Molecules:  Cyclopropeneimines and Some Related Systems

    Article • The Journal of Physical Chemistry A, August 1999, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  49. Toward Organic Superbases:  The Electronic Structure and the Absolute Proton Affinity of Quinodiimines and Some Related Compounds

    Article • The Journal of Physical Chemistry A, September 1998, American Chemical Society (ACS)

    Dr Borislav Kovacevic

  50. Simple Ab Initio Model for Calculating the Absolute Proton Affinity of Aromatics

    Article • The Journal of Physical Chemistry A, October 1997, American Chemical Society (ACS)

    Dr Borislav Kovacevic