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• W1964568207 abstract "We report here a method to perform the conformational analysis of five-membered rings. This method is based on the Cremer and Pople description and it has been implemented in the GenMol software. After testing our method on a series of five-membered rings, we used it to study the behavior of pyrrolidine-N-oxy radicals. These calculations allowed us to calculate ESR β-hyperfine coupling constants (β-hfcc) and to compare them with experimental ones. This approach can be used to assist the design of new nitroxide targets with desired properties." @default.
• W1964568207 created "2016-06-24" @default.
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• W1964568207 date "2002-04-01" @default.
• W1964568207 modified "2023-09-25" @default.
• W1964568207 title "Conformational analysis of five-membered rings by molecular mechanics: application to nitroxides" @default.
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• W1964568207 doi "https://doi.org/10.1016/s0166-1280(01)00773-4" @default.
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