Molecular and Supramolecular Interactions in Systems with Nitroxide-Based Radicals

Molecular and Supramolecular Interactions in Systems with Nitroxide-Based Radicals

Nitroxide-based radicals, having the advantage of firm chemical stability, are usable as probes in the detection of nanoscale details in the chemical environment of various multi-component systems, based on subtle variations in their electron paramagnetic resonance spectra. We propose a systematic w...

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Bibliographic Details
Main Authors: Maria Cristina Buta, Ana Maria Toader, Bogdan Frecus, Corneliu I. Oprea, Fanica Cimpoesu, Gabriela Ionita
Format: Article
Language:English
Published: MDPI AG 2019-09-01
Series:International Journal of Molecular Sciences
Subjects:
EPR parameters
host-guest complexes
exchange coupling
zero field splitting (ZFS)
hyperfine coupling
computational chemistry
density functional theory (DFT) methods
basis sets
Gaussian and Slater type orbitals
plane wave methods
Online Access:https://www.mdpi.com/1422-0067/20/19/4733

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https://www.mdpi.com/1422-0067/20/19/4733

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