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  1. Prominent Neuroprotective Potential of Indole-2-N-methylpropargylamine: High Affinity and Irreversible Inhibition Efficiency towards Monoamine Oxidase B Revealed by Computational Scaffold Analysis

    Article • Pharmaceuticals, September 2024, MDPI AG

    Dr Robert Vianello

  2. Colourimetric and fluorimetric metal ion chemosensor based on a benzimidazole functionalised Schiff base

    Article • Supramolecular Chemistry, February 2018, Taylor & Francis

    Dr Robert Vianello

  3. Exploring the biological promiscuity of high-throughput screening hits through DFT calculations

    Article • Bioorganic & Medicinal Chemistry, April 2014, Elsevier

    Dr Robert Vianello

  4. New organic oxygen superbases based on N-oxides

    Article • Chemical Communications, January 2014, Royal Society of Chemistry

    Dr Robert Vianello

  5. Quantum-chemical approach to determining the high potency of clorgyline as an irreversible acetylenic monoamine oxidase inhibitor

    Article • Acta Neurovegetativa, April 2013, Springer Science + Business Media

    Dr Robert Vianello

  6. Binding of cadmium dication to glutathione facilitates cysteine SH deprotonation: A computational DFT study

    Article • Journal of Inorganic Biochemistry, February 2013, Elsevier

    Dr Robert Vianello

  7. How are Biogenic Amines Metabolized by Monoamine Oxidases? (Eur. J. Org. Chem. 36/2012)

    Article • European Journal of Organic Chemistry, December 2012, Wiley

    Dr Robert Vianello

  8. How are Biogenic Amines Metabolized by Monoamine Oxidases?

    Article • European Journal of Organic Chemistry, October 2012, Wiley

    Dr Robert Vianello

  9. 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

  10. Ring Strain and Other Factors Governing the Basicity of Nitrogen Heterocycles – An Interpretation by Triadic Analysis

    Article • Croatica Chemica Acta, January 2012, Croatian Chemical Society

    Dr Robert Vianello

  11. Microsolvation of the histamine monocation in aqueous solution: the effect on structure, hydrogen bonding ability and vibrational spectrum

    Article • New Journal of Chemistry, January 2012, Royal Society of Chemistry

    Dr Robert Vianello

  12. Irreversible Inhibition of Monoamine Oxidase B by the Antiparkinsonian Medicines Rasagiline and Selegiline: A Computational Study

    Article • European Journal of Organic Chemistry, September 2011, Wiley

    Dr Robert Vianello

  13. The engineering of powerful non-ionic superacids in silico—a DFT-B3LYP study of open chain polycyanopolyenes

    Article • New Journal of Chemistry, January 2009, Royal Society of Chemistry

    Dr Robert Vianello

  14. Rees polycyanated hydrocarbons and related compounds are extremely powerful Brønsted superacids in the gas-phase and DMSO—a density functional B3LYP study

    Article • New Journal of Chemistry, January 2008, Royal Society of Chemistry

    Dr Robert Vianello

  15. Interpretation of Brønsted Acidity by Triadic Paradigm:  A G3 Study of Mineral Acids

    Article • The Journal of Physical Chemistry A, October 2007, American Chemical Society (ACS)

    Dr Robert Vianello

  16. Aromaticity of Rees-type hydrocarbons—a DFT computational study

    Article • Structural Chemistry, August 2007, Springer Science + Business Media

    Dr Robert Vianello

  17. Design of Brønsted Neutral Organic Bases and Superbases by Computational DFT Methods: Cyclic and Polycyclic Quinones and [3]Carbonylradialenes

    Article • European Journal of Organic Chemistry, July 2007, Wiley

    Dr Robert Vianello

  18. Physical origin of chemical phenomena: Interpretation of acidity, basicity, and hydride affinity by trichotomy paradigm

    Article • Pure and Applied Chemistry, January 2007, De Gruyter

    Dr Robert Vianello

  19. Computational design of Brønsted neutral organic superbases—[3]iminoradialenes and quinonimines are important synthetic targets

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

    Dr Robert Vianello

  20. Hydride Affinities of Substituted Alkenes: Their Prediction by Density Functional Calculations and Rationalisation by Triadic Formula

    Article • European Journal of Organic Chemistry, January 2007, Wiley

    Dr Robert Vianello

  21. Engineering Neutral Organic Bases and Superbases by Computational DFT Methods – Carbonyl Polyenes

    Article • European Journal of Organic Chemistry, December 2006, Wiley

    Dr Robert Vianello

  22. Hydride Affinities of Some Substituted Alkynes:  Prediction by DFT Calculations and Rationalization by Triadic Formula

    Article • The Journal of Physical Chemistry A, November 2006, American Chemical Society (ACS)

    Dr Robert Vianello

  23. Triadic analysis of substituent effects—gas-phase acidity of para-substituted phenols

    Article • Tetrahedron, April 2006, Elsevier

    Dr Robert Vianello

  24. Towards highly powerful neutral organic superacids—a DFT study of some polycyano derivatives of planar hydrocarbons

    Article • Tetrahedron, September 2005, Elsevier

    Dr Robert Vianello

  25. Strong Acidity of Some Polycyclic Aromatic Compounds Annulated to a Cyclopentadiene Moiety and Their Cyano Derivatives - A Density Functional B3LYP Study

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

    Dr Robert Vianello

  26. High acidity of polycyano azatriquinanes—theoretical prediction by the DFT calculations

    Article • Tetrahedron Letters, May 2005, Elsevier

    Dr Robert Vianello

  27. Gas-phase acidity ofpara-substituted benzoic acids-a triadic analysis of substituent effects

    Article • Journal of Physical Organic Chemistry, April 2005, Wiley

    Dr Robert Vianello

  28. Acidities of azoles in the gas phase and in DMSO: anab initioand DFT study

    Article • Molecular Physics, January 2005, Taylor & Francis

    Dr Robert Vianello

  29. Hydride Affinities of Borane Derivatives:  Novel Approach in Determining the Origin of Lewis Acidity Based on Triadic Formula

    Article • Inorganic Chemistry, January 2005, American Chemical Society (ACS)

    Dr Robert Vianello

  30. Extremal acidity of Rees polycyanated hydrocarbons in the gas phase and DMSO – a density functional study

    Article • Chemical Communications, January 2005, Royal Society of Chemistry

    Dr Robert Vianello

  31. The Acidity of Brønsted CH Acids in DMSO − The Extreme Acidity of Nonacyanocyclononatetraene

    Article • European Journal of Organic Chemistry, December 2004, Wiley

    Dr Robert Vianello

  32. 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

  33. Extending the acidity ladder of neutral organic superacids—a DFT-B3LYP study of deprotonation of nonacyanofluorene

    Article • Tetrahedron Letters, November 2004, Elsevier

    Dr Robert Vianello

  34. In Search of Ultrastrong Brønsted Neutral Organic Superacids: A DFT Study on Some Cyclopentadiene Derivatives

    Article • Chemistry - A European Journal, October 2004, Wiley

    Dr Robert Vianello

  35. Design of Strong, Neutral Organic Superacids: DFT-B3LYP Calculations on Some Isobenzofulvene Derivatives

    Article • European Journal of Organic Chemistry, May 2004, Wiley

    Dr Robert Vianello

  36. On the atomic additivity of the zero point vibrational energy in molecules

    Article • Journal of Molecular Structure THEOCHEM, March 2004, Elsevier

    Dr Robert Vianello

  37. Tailoring of strong neutral organic superacids: DFT-B3LYP calculations on some fulvene derivatives

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

    Dr Robert Vianello

  38. A Combined ab initio and Density Functional Study of the Electronic Structure of Thymine and 2-Thiothymine Radicals

    Article • Collection of Czechoslovak Chemical Communications, January 2003, Institute of Organic Chemistry & Biochemistry

    Dr Robert Vianello

  39. Anionic versus Neutral Protonation—An Ab Initio Analysis with a Triadic Formula

    Article • ChemPhysChem, August 2002, Wiley

    Dr Robert Vianello

  40. 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

  41. 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

  42. Quest for the Origin of Basicity:  Initial vs Final State Effect in Neutral Nitrogen Bases

    Article • The Journal of Physical Chemistry A, December 2001, American Chemical Society (ACS)

    Dr Robert Vianello

  43. The proton affinity of some extended π-systems involving guanidine and cyclopropenimine subunits

    Article • Journal of the Chemical Society Perkin Transactions 2, January 2001, Royal Society of Chemistry

    Dr Robert Vianello