To access the full text documents, please follow this link: http://hdl.handle.net/2445/114944
dc.contributor | Universitat de Barcelona |
---|---|
dc.contributor.author | Lamiel Garcia, Josep Oriol |
dc.contributor.author | Ko, Kyoung Chul |
dc.contributor.author | Lee, Jin Yong |
dc.contributor.author | Bromley, Stefan Thomas |
dc.contributor.author | Illas i Riera, Francesc |
dc.date | 2017-09-05T07:04:40Z |
dc.date | 2018-04-01T22:01:22Z |
dc.date | 2017-04-01 |
dc.date | 2017-09-05T07:04:40Z |
dc.identifier.citation | 1549-9618 |
dc.identifier.citation | 673122 |
dc.identifier.uri | http://hdl.handle.net/2445/114944 |
dc.format | 9 p. |
dc.format | application/pdf |
dc.language.iso | eng |
dc.publisher | American Chemical Society |
dc.relation | Versió postprint del document publicat a: https://doi.org/10.1021/acs.jctc.7b00085 |
dc.relation | Journal of Chemical Theory and Computation, 2017, vol. 13, num. 4, p. 1785-1793 |
dc.relation | https://doi.org/10.1021/acs.jctc.7b00085 |
dc.rights | (c) American Chemical Society , 2017 |
dc.rights | info:eu-repo/semantics/openAccess |
dc.subject | Diòxid de titani |
dc.subject | Nanopartícules |
dc.subject | Teoria del funcional de densitat |
dc.subject | Titanium dioxide |
dc.subject | Nanoparticles |
dc.subject | Density functionals |
dc.title | When anatase nanoparticles become bulk-like: properties of realistic TiO2 nanoparticles in the 1-6 nm size range from all electron relativistic density functional theory based calculations |
dc.type | info:eu-repo/semantics/article |
dc.type | info:eu-repo/semantics/acceptedVersion |
dc.description.abstract |