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...
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| Main Author: | |
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| Other Authors: | , , , |
| Format: | Artículo |
| Language: | English |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://doi.org/10.1016/j.jmgm.2024.108724 https://www.sciencedirect.com/science/article/abs/pii/S109332632400024X |
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