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• W1981885655 abstract "Encapsulation of spin-labels into host compounds, like cucurbit[n]urils or cyclodextrins, in solutions has profound effects on the EPR spin Hamiltonian parameters of the spin-labels. In this work we study the microscopic origin of the EPR spin Hamiltonian parameters of spin-labels enclosed in hydrophobic cavities. We focus on the dependence of the EPR properties of encapsulated spin-labels on the hydrogen bonding topologies that occur upon encapsulation, and quantize various contributions to these parameters according to specific hydrogen bonding patterns. The obtained results provide refined insight into the role of the hydrogen bonding induced encapsulation shifts of EPR spin Hamiltonian parameters in solvated spin-label@host compound complexes." @default.
• W1981885655 created "2016-06-24" @default.
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• W1981885655 date "2013-01-01" @default.
• W1981885655 modified "2023-09-24" @default.
• W1981885655 title "EPR spin Hamiltonian parameters of encapsulated spin-labels: impact of the hydrogen bonding topology" @default.
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• W1981885655 doi "https://doi.org/10.1039/c2cp43951d" @default.
• W1981885655 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23303199" @default.
• W1981885655 hasPublicationYear "2013" @default.
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