| Study of natural anthraquinone colorants by EPR and UV/vis spectroscopy Z Machatová, Z Barbieriková, P Poliak, V Jančovičová, V Lukeš, ... Dyes and Pigments 132, 79-93, 2016 | 53 | 2016 |
| From phenols to quinones: Thermodynamics of radical scavenging activity of para-substituted phenols M Michalík, P Poliak, V Lukeš, E Klein Phytochemistry 166, 112077, 2019 | 40 | 2019 |
| BuRNN: Buffer region neural network approach for polarizable-embedding neural network/molecular mechanics simulations B Lier, P Poliak, P Marquetand, J Westermayr, C Oostenbrink The Journal of Physical Chemistry Letters 13 (17), 3812-3818, 2022 | 25 | 2022 |
| Thermodynamic study of vitamin B6 antioxidant potential P Škorňa, J Rimarčík, P Poliak, V Lukeš, E Klein Computational and Theoretical Chemistry 1077, 32-38, 2016 | 25 | 2016 |
| Quantum-chemical study of C—H bond dissociation enthalpies of various small non-aromatic organic molecules P Poliak, A Vagánek Acta Chimica Slovaca 6 (1), 64-72, 2013 | 20 | 2013 |
| The DFT calculations of pK values of the cationic acids of aniline and pyridine derivatives in common solvents P Poliak Acta Chimica Slovaca 7 (1), 25-30, 2014 | 19 | 2014 |
| On the toxicity of para-substituted phenols and their quinone metabolites: Quantum chemical study M Michalík, P Poliak, E Klein, V Lukeš Chemical Physics Letters 709, 71-76, 2018 | 16 | 2018 |
| The ab initio study of halogen and hydrogen σN-bonded para-substituted pyridine⋯(X2/XY/HX) complexes V Sladek, P Škorňa, P Poliak, V Lukeš Chemical Physics Letters 619, 7-13, 2015 | 14 | 2015 |
| Design of novel generations of planar sunflower molecules: Theoretical comparative study of electronic structure and charge transport characteristics D Cagardová, J Matúška, P Poliak, V Lukeš The Journal of Physical Chemistry C 123 (37), 22752-22766, 2019 | 12 | 2019 |
| Density-functional theoretical study of fluorination effect on the electronic structure and electron drift mobilities of symmetric pentacene derivatives V Lukeš, D Cagardova, M Michalík, P Poliak Synthetic Metals 240, 67-76, 2018 | 11 | 2018 |
| Substitution and torsional effects on the energetics of homolytic N–H bond cleavage in diphenylamines P Poliak, A Vagánek, V Lukeš, E Klein Polymer degradation and stability 114, 37-44, 2015 | 10 | 2015 |
| Theoretical and experimental study of model oligothiophenes containing 1-methylene-2-(perfluorophenyl) hydrazine terminal unit V Lukeš, M Michalik, P Poliak, D Cagardova, D Vegh, D Bortňák, M Fronc, ... Synthetic Metals 219, 83-92, 2016 | 9 | 2016 |
| Thermodynamics of radical scavenging of symmetric carotenoids and their charged species P Poliak, P Škorňa, E Klein, V Lukeš Food chemistry 268, 542-549, 2018 | 7 | 2018 |
| Water effect on the bond dissociation energy of O–H and N–H bonds in phenol and aniline: The testing of simple molecular dynamics model M Michalík, A Vagánek, P Poliak Acta Chimica Slovaca 7 (2), 123-128, 2014 | 7 | 2014 |
| Electronic structure and charge-transport properties of symmetric linear condensed bis-benzothiadiazole derivatives D Cagardova, M Michalík, P Poliak, V Lukeš Journal of Molecular Structure 1175, 297-306, 2019 | 6 | 2019 |
| Torsional deformation effect on the N—H bond dissociation energy in diphenylamine P Poliak, A Vagánek Acta Chimica Slovaca 6 (2), 182-186, 2013 | 6 | 2013 |
| UDP-N-acetyl-α-D-galactosamine:polypeptide N-acetylgalactosaminyltransferase from the snail Biomphalaria glabrata – structural reflections A Turupcu, P Poliak, C Margreitter, C Oostenbrink, E Staudacher Glycoconjugate Journal 37, 15-25, 2020 | 5 | 2020 |
| Theoretical comparative study of promising semiconducting aromatic molecules and their fluorinated counterparts D Cagardová, J Matúška, M Michalík, P Poliak, V Lukeš Synthetic Metals 260, 116263, 2020 | 5 | 2020 |
| B3LYP Study of 3-hydroxynaphthalene-2-carboxanilide para-derivatives M Michalík, P Poliak, V Lukeš Acta Chim. Slov 65, 23-33, 2018 | 5 | 2018 |
| Polyradical PROXYL/TEMPO‐Derived Amides: Synthesis, Physicochemical Studies, DFT Calculations, and Antimicrobial Activity P Poprac, P Poliak, M Kavala, Z Barbieriková, M Zalibera, M Fronc, ... ChemPlusChem 82 (11), 1326-1340, 2017 | 4 | 2017 |
