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- W2004306557 abstract "Vibrational averaging and solvent effects on the isotropic hyperfine coupling constants of dimethyl nitroxide have been investigated by an integrated computational tool including Car–Parrinello molecular dynamics and discrete-continuum solvent models. The results allow an unbiased judgement of the role of different effects in determining the observed EPR parameters." @default.
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- W2004306557 date "2004-09-01" @default.
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- W2004306557 title "Hyperfine coupling constants of dimethyl nitroxide in aqueous solution: Car–Parrinello molecular dynamics and discrete-continuum approaches" @default.
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- W2004306557 doi "https://doi.org/10.1016/j.cplett.2004.07.054" @default.
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