Ondřej Kroutil
Affiliations: | 2010-2016 | University of South Bohemia |
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Parents
Sign in to add mentor| Milan Předota | grad student | 2010-2016 | University of South Bohemia (Chemistry Tree) | |
| ("Molecular modeling ofbiomolecules – surface interaction") | ||||
| Robert Vácha | post-doc | CEITEC - Central European Institute of Technology (Chemistry Tree) | ||
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Publications
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| Chen W, Kroutil O, Předota M, et al. (2024) Wetting of a Dynamically Patterned Surface Is a Time-Dependent Matter. The Journal of Physical Chemistry. B. 128: 11914-11923 |
| Kroutil O, Pezzotti S, Gaigeot M, et al. (2020) Phase-Sensitive Vibrational SFG Spectra from Simple Classical Force-Fields Molecular Dynamics Simulations Journal of Physical Chemistry C. 124: 15253-15263 |
| Biriukov D, Kroutil O, Kabeláč M, et al. (2019) Oxalic Acid Adsorption on Rutile: Molecular Dynamics and ab Initio Calculations. Langmuir : the Acs Journal of Surfaces and Colloids. 35: 7617-7630 |
| Machesky ML, Ridley MK, Biriukov D, et al. (2019) Oxalic Acid Adsorption on Rutile: Experiments and Surface Complexation Modeling to 150 °C. Langmuir : the Acs Journal of Surfaces and Colloids. 35: 7631-7640 |
| Biriukov D, Kroutil O, Předota M. (2018) Modeling of solid-liquid interfaces using scaled charges: rutile (110) surfaces. Physical Chemistry Chemical Physics : Pccp. 20: 23954-23966 |
| Kroutil O, Předota M, Kabeláč M. (2017) Force field parametrization of hydrogenoxalate and oxalate anions with scaled charges. Journal of Molecular Modeling. 23: 327 |
| Kroutil O, Minofar B, Kabeláč M. (2016) Structure and dynamics of solvated hydrogenoxalate and oxalate anions: a theoretical study. Journal of Molecular Modeling. 22: 210 |
| Kroutil O, Předota M, Chval Z. (2016) Pt···H Nonclassical Interaction in Water-Dissolved Pt(II) Complexes: Coaction of Electronic Effects with Solvent-Assisted Stabilization. Inorganic Chemistry. 55: 3252-64 |
| Kroutil O, Chval Z, Skelton AA, et al. (2015) Computer Simulations of Quartz (101)–Water Interface over a Range of pH Values The Journal of Physical Chemistry C. 119: 9274-9286 |
| Kabeláč M, Kroutil O, Předota M, et al. (2012) Influence of a charged graphene surface on the orientation and conformation of covalently attached oligonucleotides: a molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. 14: 4217-29 |