dc.contributor.author | Šarmanová, Martina | |
dc.contributor.author | Vítek, Aleš | |
dc.contributor.author | Ćosić, Rajko | |
dc.contributor.author | Kalus, René | |
dc.date.accessioned | 2020-01-22T08:58:27Z | |
dc.date.available | 2020-01-22T08:58:27Z | |
dc.date.issued | 2019 | |
dc.identifier.citation | RSC Advances. 2019, vol. 9, issue 64, p. 37258-37266. | cs |
dc.identifier.issn | 2046-2069 | |
dc.identifier.uri | http://hdl.handle.net/10084/139095 | |
dc.description.abstract | Photoabsorption spectra of Hg-8 have been calculated at various cluster temperatures and external pressures. A diatomics-in-molecules method has been used to model cluster electronic structure and classical isothermal-isobaric Monte Carlo simulations have been employed for sampling representative cluster configurations. Contributions of different structural isomers of the Hg-8 cluster have been analyzed and related to structural transitions in the cluster, particularly those induced by an increased pressure. | cs |
dc.language.iso | en | cs |
dc.publisher | Royal Society of Chemistry | cs |
dc.relation.ispartofseries | RSC Advances | cs |
dc.relation.uri | https://doi.org/10.1039/c9ra08000g | cs |
dc.rights | © The Royal Society of Chemistry 2019 | cs |
dc.rights.uri | http://creativecommons.org/licenses/by-nc/3.0/ | cs |
dc.title | Photoabsorption markers of pressure-induced phase changes in small mercury clusters. A case study on Hg-8 | cs |
dc.type | article | cs |
dc.identifier.doi | 10.1039/c9ra08000g | |
dc.rights.access | openAccess | cs |
dc.type.version | publishedVersion | cs |
dc.type.status | Peer-reviewed | cs |
dc.description.source | Web of Science | cs |
dc.description.volume | 9 | cs |
dc.description.issue | 64 | cs |
dc.description.lastpage | 37266 | cs |
dc.description.firstpage | 37258 | cs |
dc.identifier.wos | 000501620400018 | |