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Semi-Empirical Calculation of Bodipy Aggregate Spectroscopic Properties through Direct Sampling of Configurational Ensembles
Efficient prediction of the aggregation-induced callback of organic chromophores for utilization in molecular sensorics is a desirable development goal in modern computational chemistry. Dye aggregates are complicated to study when utilizing conventional quantum chemistry approaches, since they are...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9502801/ https://www.ncbi.nlm.nih.gov/pubmed/36142865 http://dx.doi.org/10.3390/ijms231810955 |