ESR, STESR, DFT, and MD Study of the Dynamical Structure of Cucurbituril[7]–Spin Probe Guest–Host Complexes

[Image: see text] We study the molecular dynamics and structures of the guest–host complexes of cucurbituril, CB[7], with spin probes through the conventional electron spin resonance (ESR), saturation transfer ESR (STESR), density functional theory (DFT), and molecular dynamics (MD) computations. Pr...

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Detalles Bibliográficos
Autores principales: Livshits, Vsevolod A., Meshkov, Boris B., Avakyan, Vitaly G., Titov, Sergei V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7271031/
https://www.ncbi.nlm.nih.gov/pubmed/32548369
http://dx.doi.org/10.1021/acsomega.9b03772

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