| Computer simulations of quartz (101)–water interface over a range of pH values O Kroutil, Z Chval, AA Skelton, M Predota The Journal of Physical Chemistry C 119 (17), 9274-9286, 2015 | 126 | 2015 |
| Modeling of solid–liquid interfaces using scaled charges: rutile (110) surfaces D Biriukov, O Kroutil, M Předota Physical Chemistry Chemical Physics 20 (37), 23954-23966, 2018 | 41 | 2018 |
| Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study M Kabeláč, O Kroutil, M Předota, F Lankaš, M Šíp Physical Chemistry Chemical Physics 14 (12), 4217-4229, 2012 | 35 | 2012 |
| Cy3 and Cy5 dyes terminally attached to 5′ C end of DNA: structure, dynamics, and energetics O Kroutil, I Romancova, M Sip, Z Chval The Journal of Physical Chemistry B 118 (47), 13564-13572, 2014 | 24 | 2014 |
| Force field parametrization of hydrogenoxalate and oxalate anions with scaled charges O Kroutil, M Předota, M Kabeláč Journal of Molecular Modeling 23, 1-8, 2017 | 20 | 2017 |
| Oxalic acid adsorption on rutile: Molecular dynamics and ab initio calculations D Biriukov, O Kroutil, M Kabeláč, MK Ridley, ML Machesky, M Předota Langmuir 35 (24), 7617-7630, 2019 | 19 | 2019 |
| Pt··· H Nonclassical Interaction in Water-Dissolved Pt (II) Complexes: Coaction of Electronic Effects with Solvent-Assisted Stabilization O Kroutil, M Předota, Z Chval Inorganic Chemistry 55 (7), 3252-3264, 2016 | 17 | 2016 |
| Phase-sensitive vibrational SFG spectra from simple classical force field molecular dynamics simulations O Kroutil, S Pezzotti, MP Gaigeot, M Předota The Journal of Physical Chemistry C 124 (28), 15253-15263, 2020 | 14 | 2020 |
| Structure and dynamics of solvated hydrogenoxalate and oxalate anions: a theoretical study O Kroutil, B Minofar, M Kabeláč Journal of molecular modeling 22, 1-10, 2016 | 13 | 2016 |
| Electrocatalytic monitoring of peptidic proton-wires V Dorčák, M Kabeláč, O Kroutil, K Bednářová, J Vacek Analyst 141 (15), 4554-4557, 2016 | 13 | 2016 |
| Synthesis and Profiling of Highly Selective Inhibitors of Methyltransferase DOT1L Based on Carbocyclic C-Nucleosides P Khirsariya, P Pospisil, L Maier, M Boudny, M Babas, O Kroutil, M Mráz, ... Journal of Medicinal Chemistry 65 (7), 5701-5723, 2022 | 9 | 2022 |
| Oxalic acid adsorption on rutile: Experiments and surface complexation modeling to 150 C ML Machesky, MK Ridley, D Biriukov, O Kroutil, M Předota Langmuir 35 (24), 7631-7640, 2019 | 6 | 2019 |
| Structural stability of peptidic His-containing proton wire in solution and in the adsorbed state V Dorčák, D Novák, M Kabeláč, O Kroutil, L Bednárová, V Veverka, ... Langmuir 34 (24), 6997-7005, 2018 | 6 | 2018 |
| Structures of Peptidic H‐wires at Mercury Surface: Molecular Dynamics Study O Kroutil, M Kabeláč, V Dorčák, J Vacek Electroanalysis 31 (10), 2032-2040, 2019 | 4 | 2019 |
| Clinoptilolite/electrolyte interface probed by a classical molecular dynamics simulations and batch adsorption experiments O Kroutil, VD Nguyen, J Volánek, A Kučera, M Předota, V Vranová Microporous and Mesoporous Materials 328, 111406, 2021 | 1 | 2021 |
| Wetting of a dynamically patterned surface is a time-dependent matter W Chen, O Kroutil, M Predota, S Pezzotti, MP Gaigeot The Journal of Physical Chemistry B, 2024 | | 2024 |
| Cysteamine Chemisorption at Mercury–Solution Interfaces in the Context of Redox and Microdissociation Equilibria V Dorčák, O Kroutil, M Kabeláč, J Janata, J Vacek Langmuir 40 (12), 6253-6260, 2024 | | 2024 |
| Modelling of solid-liquid interactions using scaled charges in accord with the Electronic continuum correction D Biriukov, M Predota, O Kroutil, Z Chval, M Kabelac ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
| Adsorption of oxalic acid on rutile surfaces D Biriukov, M Predota, O Kroutil, M Ridley, M Machesky | | 2018 |
| Impact of organic molecules on the colloidal stability of silica nanoparticles–simulations and experiments D Biriukov, M Předota, O Kroutil, J Rosenqvist, CM Jonsson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
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