| dc.contributor.author | Stepanovic, Stepan | |
| dc.contributor.author | Lai, Rui | |
| dc.contributor.author | Elstner, Marcus | |
| dc.contributor.author | Gruden, Maja | |
| dc.contributor.author | García Fernández, Pablo (físico) | |
| dc.contributor.author | Cui, Qiang | |
| dc.contributor.other | Universidad de Cantabria | es_ES |
| dc.date.accessioned | 2024-04-19T15:04:44Z | |
| dc.date.available | 2024-04-19T15:04:44Z | |
| dc.date.issued | 2020 | |
| dc.identifier.issn | 1463-9076 | |
| dc.identifier.issn | 1463-9084 | |
| dc.identifier.other | PGC2018-096955-B-C41 | es_ES |
| dc.identifier.uri | https://hdl.handle.net/10902/32615 | |
| dc.description.sponsorship | This project was supported by the Serbian-German collaboration project (DAAD) number 451-03-01038/2015-09/7 (to MG and ME), the Serbian Ministry of Education, Science and Technological Development (Grants 451-03-68/2020-14/200168 and 451-03-68/2020-14/200026), NIH grant R01-GM106443 (QC) and the Spanish Ministry of Economy and Competitiveness through Grant PGC2018-096955-B-C41 (P.G.-F.). | es_ES |
| dc.format.extent | 23 p. | es_ES |
| dc.language.iso | eng | es_ES |
| dc.publisher | Royal Society of Chemistry | es_ES |
| dc.rights | © Royal Society of Chemistry | es_ES |
| dc.source | Physical Chemistry Chemical Physics, 2020, 22(46), 27084-27095 | es_ES |
| dc.title | Improvement of d-d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+U model on nickel coordination compounds | es_ES |
| dc.type | info:eu-repo/semantics/article | es_ES |
| dc.relation.publisherVersion | https://doi.org/10.1039/D0CP04694A | es_ES |
| dc.rights.accessRights | openAccess | es_ES |
| dc.relation.projectID | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-096955-B-C41/ES/SIESTA Y SU INTEROPERABILIDAD PARA LOS NUEVOS RETOS EN SIMULACIONES ATOMISTICAS/ | |
| dc.identifier.DOI | 10.1039/d0cp04694a | |
| dc.type.version | acceptedVersion | es_ES |
