ABORDAGENS DFT PARA ESPECTROS DE ABSORÇÃO UV-VIS: EXPLORANDO SEMELHANÇAS E DIFERENÇAS EM COMPOSTOS ORGÂNICO E DE COORDENAÇÃO
Ultraviolet-visible (UV-Vis) absorption spectroscopy is widely used in chemistry to analyze electronic structures and molecular properties. Computational chemistry, particularly density functional theory (DFT) and time-dependent DFT (TD-DFT), offers valuable tools to support and complement experimen...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Sociedade Brasileira de Química
2025-08-01
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| Series: | Química Nova |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422025000800306&lng=pt&tlng=pt |
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