On the basicity of organic bases in different media S Tshepelevitsh, A Kütt, M Lõkov, I Kaljurand, J Saame, A Heering, ... European journal of organic chemistry 2019 (40), 6735-6748, 2019 | 315 | 2019 |
Advances in determining the absolute proton affinities of neutral organic molecules in the gas phase and their interpretation: a theoretical account ZB Maksic, B Kovacevic, R Vianello Chemical reviews 112 (10), 5240-5270, 2012 | 200 | 2012 |
On the basicity of conjugated nitrogen heterocycles in different media M Lõkov, S Tshepelevitsh, A Heering, PG Plieger, R Vianello, I Leito European journal of organic chemistry 2017 (30), 4475-4489, 2017 | 116 | 2017 |
How are biogenic amines metabolized by monoamine oxidases? R Vianello, M Repič, J Mavri European journal of organic chemistry 2012 (36), 7057-7065, 2012 | 101 | 2012 |
Quest for the origin of basicity: Initial vs final state effect in neutral nitrogen bases ZB Maksić, R Vianello The Journal of Physical Chemistry A 106 (2), 419-430, 2002 | 100 | 2002 |
Novel pyrimidine-2, 4-dione–1, 2, 3-triazole and furo [2, 3-d] pyrimidine-2-one–1, 2, 3-triazole hybrids as potential anti-cancer agents: synthesis, computational and X-ray … T Gregorić, M Sedić, P Grbčić, AT Paravić, SK Pavelić, M Cetina, ... European journal of medicinal chemistry 125, 1247-1267, 2017 | 93 | 2017 |
Superbasicity of a bis-guanidino compound with a flexible linker: a theoretical and experimental study MP Coles, PJ Aragon-Saez, SH Oakley, PB Hitchcock, MG Davidson, ... Journal of the American Chemical Society 131 (46), 16858-16868, 2009 | 86 | 2009 |
The chemistry of neurodegeneration: kinetic data and their implications M Pavlin, M Repič, R Vianello, J Mavri Molecular neurobiology 53, 3400-3415, 2016 | 81 | 2016 |
In search of ultrastrong Brønsted neutral organic superacids: a DFT study on some cyclopentadiene derivatives R Vianello, JF Liebman, ZB Maksić Chemistry–A European Journal 10 (22), 5751-5760, 2004 | 81 | 2004 |
Computational Study of the pKa Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B R Borstnar, M Repic, SCL Kamerlin, R Vianello, J Mavri Journal of chemical theory and computation 8 (10), 3864-3870, 2012 | 78 | 2012 |
Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine M Repič, R Vianello, M Purg, F Duarte, P Bauer, SCL Kamerlin, J Mavri Proteins: Structure, Function, and Bioinformatics 82 (12), 3347-3355, 2014 | 64 | 2014 |
Examining Electrostatic Preorganization in Monoamine Oxidases A and B by Structural Comparison and pKa Calculations M Repič, M Purg, R Vianello, J Mavri The Journal of Physical Chemistry B 118 (16), 4326-4332, 2014 | 62 | 2014 |
Hydrogen bond dynamics of histamine monocation in aqueous solution: Car–Parrinello molecular dynamics and vibrational spectroscopy study J Stare, J Mavri, J Grdadolnik, J Zidar, ZB Maksic, R Vianello The Journal of Physical Chemistry B 115 (19), 5999-6010, 2011 | 60 | 2011 |
Computer aided design of organic superbases: the role of intramolecular hydrogen bonding B Kovačević, ZB Maksić, R Vianello, M Primorac New journal of chemistry 26 (10), 1329-1334, 2002 | 59 | 2002 |
Triadic analysis of substituent effects—gas-phase acidity of para-substituted phenols R Vianello, ZB Maksić Tetrahedron 62 (14), 3402-3411, 2006 | 56 | 2006 |
Tuneable solid-state emitters based on benzimidazole derivatives: Aggregation induced red emission and mechanochromism of D-π-a fluorophores E Horak, M Robić, A Šimanović, V Mandić, R Vianello, M Hranjec, ... Dyes and pigments 162, 688-696, 2019 | 52 | 2019 |
Hydride affinities of borane derivatives: Novel approach in determining the origin of lewis acidity based on triadic formula R Vianello, ZB Maksić Inorganic chemistry 44 (4), 1095-1102, 2005 | 52 | 2005 |
Computational insight into the mechanism of the irreversible inhibition of monoamine oxidase enzymes by the antiparkinsonian propargylamine inhibitors rasagiline and selegiline T Tandarić, R Vianello ACS Chemical Neuroscience 10 (8), 3532-3542, 2019 | 49 | 2019 |
Computational design of Brønsted neutral organic superbases—[3] iminoradialenes and quinonimines are important synthetic targets I Despotović, ZB Maksić, R Vianello New journal of chemistry 31 (1), 52-62, 2007 | 49 | 2007 |
The use of multiscale molecular simulations in understanding a relationship between the structure and function of biological systems of the brain: the application to monoamine … R Vianello, C Domene, J Mavri Frontiers in neuroscience 10, 327, 2016 | 48 | 2016 |