| dc.contributor.author | Janeba, Daniel | |
| dc.contributor.author | Čapková, Pavla | |
| dc.contributor.author | Weiss, Zdeněk | |
| dc.date.accessioned | 2007-08-20T08:54:07Z | |
| dc.date.available | 2007-08-20T08:54:07Z | |
| dc.date.issued | 1998 | |
| dc.identifier.citation | Journal of Molecular Modeling. 1998, vol. 4, no. 6, p. 176-182. | en |
| dc.identifier.issn | 1610-2940 | |
| dc.identifier.issn | 0948-5023 | |
| dc.identifier.uri | http://hdl.handle.net/10084/62043 | |
| dc.language.iso | en | en |
| dc.publisher | Springer | en |
| dc.relation.ispartofseries | Journal of Molecular Modeling | en |
| dc.relation.uri | https://doi.org/10.1007/s0089480040176 | en |
| dc.subject | intercalation | en |
| dc.subject | montmorillonite | en |
| dc.subject | tetramethylammonium | en |
| dc.subject | trimethylphenylammonium | en |
| dc.title | Molecular mechanics studies of montmorillonite intercalated with tetramethylammonium and trimethylphenylammonium | en |
| dc.type | article | en |
| dc.identifier.location | Není ve fondu ÚK | en |
| dc.description.abstract-en | The intercalation of organoammonium cations into smectite structure is the important step in the technology of non-linear optical materials. In this study we investigated the structure of montmorillonite (MMT), intercalated with two organoammonium cations : tetramethylammonium (TMA) and trimethylphenylammonium (TMPA) using molecular mechanics simulations. The studies were focused to following aspects: arrangement of organoammonium cations in the interlayer, their positions and orientation with respect to silicate layers and their anchoring to the layers. The calculated (basal) d-spacings for MMT with TMA 14.29 Å and 15.36 Å for MMT with TMPA are in good agreement with X-ray diffraction data. | en |
| dc.identifier.doi | 10.1007/s0089480040176 | |
| dc.identifier.wos | 000073996500001 | |