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dc.contributor | Universitat de Barcelona |
---|---|
dc.contributor.author | Cho, Daeheum |
dc.contributor.author | Ko, Kyoung Chul |
dc.contributor.author | Lamiel Garcia, Josep Oriol |
dc.contributor.author | Bromley, Stefan Thomas |
dc.contributor.author | Lee, Jin Yong |
dc.contributor.author | Illas i Riera, Francesc |
dc.date | 2017-09-04T10:53:38Z |
dc.date | 2017-09-04T10:53:38Z |
dc.date | 2016-08-01 |
dc.date | 2017-09-04T10:53:38Z |
dc.identifier.citation | 1549-9618 |
dc.identifier.citation | 667510 |
dc.identifier.uri | http://hdl.handle.net/2445/114921 |
dc.format | 13 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.6b00519 |
dc.relation | Journal of Chemical Theory and Computation, 2016, vol. 12, num. 8, p. 3751-3763 |
dc.relation | https://doi.org/10.1021/acs.jctc.6b00519 |
dc.rights | (c) American Chemical Society , 2016 |
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 | Effect of size and structure on the ground-state and excited-state electronic structure of TiO2 nanoparticles |
dc.type | info:eu-repo/semantics/article |
dc.type | info:eu-repo/semantics/acceptedVersion |
dc.description.abstract |