Naziv: | 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 |
Autori: | Stepanović, Stepan ; Lai, Rui; Elstner, Marcus; Gruden, Maja ; Garcia-Fernandez, Pablo; Cui, Qiang |
Godina: | 2020 |
Publikacija: | Physical Chemistry Chemical Physics |
ISSN: | 1463-9076 Physical Chemistry Chemical Physics Pretraži identifikator 1463-9084 Physical Chemistry Chemical Physics Pretraži identifikator |
Izdavač: | Royal Society of Chemistry (RSC) |
Tip rezultata: | Naučni članak |
Kolacija: | vol. 22 br. 46 str. 27084-27095 |
DOI: | 10.1039/D0CP04694A |
WoS-ID: | 000597256600040 |
Scopus-ID: | 2-s2.0-85097578431 |
PMID: | 33220674 |
PMCID: | PMC7737908 |
URI: | https://cer.ihtm.bg.ac.rs/handle/123456789/4030 https://cherry.chem.bg.ac.rs/handle/123456789/4299 https://enauka.gov.rs/handle/123456789/541446 |
Projekat: | Serbian–German collaboration project (DAAD) number 451-03-01038/2015-09/7 Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200168 (Univerzitet u Beogradu, Hemijski fakultet) (RS-200168) Ministarstvo prosvete, nauke i tehnološkog razvoja Republike Srbije, Ugovor br. 200026 (Univerzitet u Beogradu, Institut za hemiju, tehnologiju i metalurgiju - IHTM) (RS-200026) |
M-kategorija: | 21M21 - Rad u vrhunskom međ. časopisu |