Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution

[Image: see text] Calculating the spectroscopic properties of complex conjugated organic molecules in their relaxed state is far from simple. An additional complexity arises for flexible molecules in solution, where the rotational energy barriers are low enough so that nonminimum conformations may b...

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Detalles Bibliográficos
Autores principales: Streckaite, Simona, Macernis, Mindaugas, Li, Fei, Kuthanová Trsková, Eliška, Litvin, Radek, Yang, Chunhong, Pascal, Andrew A., Valkunas, Leonas, Robert, Bruno, Llansola-Portoles, Manuel J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7313542/
https://www.ncbi.nlm.nih.gov/pubmed/32163283
http://dx.doi.org/10.1021/acs.jpca.9b11536

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