Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods.
- Published in:
- Journal of Molecular Modeling, 2018, v. 24, n. 1, p. N.PAG, doi. 10.1007/s00894-017-3549-8
- By:
- Publication type:
- Article
Works by Pospíšil, Miroslav
Results: 11
1
2
Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods.
- Published in:
- Journal of Molecular Modeling, 2016, v. 22, n. 6, p. 1, doi. 10.1007/s00894-016-3014-0
- By:
- Publication type:
- Article
3
Study of the betulin molecule in a water environment; ab initio and molecular simulation calculations.
- Published in:
- Journal of Molecular Modeling, 2012, v. 18, n. 1, p. 367, doi. 10.1007/s00894-011-1055-y
- By:
- Publication type:
- Article
4
Sensitivity and the available free space per molecule in the unit cell.
- Published in:
- Journal of Molecular Modeling, 2011, v. 17, n. 10, p. 2569, doi. 10.1007/s00894-010-0953-8
- By:
- Publication type:
- Article
5
A possible crystal volume factor in the impact sensitivities of some energetic compounds.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 5, p. 895, doi. 10.1007/s00894-009-0587-x
- By:
- Publication type:
- Article
6
Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments.
- Published in:
- Journal of Molecular Modeling, 2010, v. 16, n. 2, p. 223
- By:
- Publication type:
- Article
7
Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 11, p. 1391, doi. 10.1007/s00894-009-0507-0
- By:
- Publication type:
- Article
8
Molecular modelling of zinc sulphide nanoparticles stabilized by cetyltrimethylammonium bromide.
- Published in:
- Journal of the Serbian Chemical Society, 2014, v. 79, n. 12, p. 1545, doi. 10.2298/JSC131115050K
- By:
- Publication type:
- Article
9
Structural Arrangement of 4-[4-(Dimethylamino)phenylazo]-pyridine Push-Pull Molecules in Acidic Layered Hosts Solved by Experimental and Calculation Methods.
- Published in:
- European Journal of Inorganic Chemistry, 2017, v. 2017, n. 1, p. 115, doi. 10.1002/ejic.201601053
- By:
- Publication type:
- Article
10
Intercalates of Strontium Phenylphosphonate with Alcohols - Structure Analysis by Experimental and Molecular Modeling Methods.
- Published in:
- European Journal of Inorganic Chemistry, 2015, v. 2015, n. 9, p. 1552, doi. 10.1002/ejic.201403069
- By:
- Publication type:
- Article
11
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.
- Published in:
- Journal of Computer-Aided Molecular Design, 2020, v. 34, n. 6, p. 683, doi. 10.1007/s10822-020-00299-w
- By:
- Publication type:
- Article