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Molecular simulation methods
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publication
IRINOTECAN LOADED HALLOYSITE UNDER ALCALINE pH: DESCRIBED BY MOLECULAR SIMULATION METHODS
2019 |
Matematicko-fyzikální fakulta
publication
Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods
2018 |
Matematicko-fyzikální fakulta
publication
Halloysite nanotubes as carriers for irinotecan: Synthesis and characterization by experimental and molecular simulation methods
2019 |
Matematicko-fyzikální fakulta
publication
Study of optically active 3-methoxy-N-(pyridin-4-yl)pyridin-4-amine intercalated into zirconium 4-sulfophenylphosphonate layers by molecular simulation methods
2020 |
Matematicko-fyzikální fakulta
publication
Structural description and properties of Mg2Al-layered double hydroxides intercalated with the fluvastin anions solved by molecular simulation methods
2018 |
Matematicko-fyzikální fakulta
publication
Structural arrangement and properties of layered double hydroxide drug nanocarrier intercalated by sulindac and mefenamic acid solved by molecular simulation methods
2020 |
Matematicko-fyzikální fakulta
publication
Is imogolite a suitable adsorbent agent for the herbicides like diuron and atrazine?
2023 |
Matematicko-fyzikální fakulta
publication
How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives are arranged in the interlayer space of zirconium sulfophenylphosphonate: a problem solved by experimental and calculation methods
2020 |
Matematicko-fyzikální fakulta
publication
Study of the betulin molecule in a water environment; ab initio and molecular simulation calculations
2012 |
Matematicko-fyzikální fakulta
publication
Calculated crystal structure of 4,4''-dinitro-3,3''- diazenofuroxan
2011 |
Matematicko-fyzikální fakulta
publication
Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods
2016 |
Matematicko-fyzikální fakulta
publication
How Intercalated Sodium, Copper, and Iron Cations Influence the Structural Arrangement of Zirconium Sulfophenylphosphonate Layers? Theoretical and Experimental Points of View
2019 |
Matematicko-fyzikální fakulta
publication
Structural Arrangement of 4-[4-( Dimethylamino)phenylazo]pyridine Push-Pull Molecules in Acidic Layered Hosts Solved by Experimental and Calculation Methods
2017 |
Matematicko-fyzikální fakulta