Copper complex molecules as dye-sensitizers: Hybrid MetaGGA and standard + van der Waals functionals
This study focuses on the use of Density Functional Theory calculations with two main approaches: computational chemistry and computational physics. The following three cases were considered for the derivation: (I) computational chemistry using the M06 hybrid functional, (II) computational chemistry...
Uloženo v:
| Hlavní autor: | |
|---|---|
| Další autoři: | , , , |
| Médium: | Artículo |
| Jazyk: | English |
| Vydáno: |
2024
|
| Témata: | |
| On-line přístup: | https://doi.org/10.1016/j.jmgm.2024.108724 https://www.sciencedirect.com/science/article/abs/pii/S109332632400024X |
| Tagy: |
Přidat tag
Žádné tagy, Buďte první, kdo otaguje tento záznam!
|
