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- W2788549069 abstract "We present a method for simulating EPR spectra based on a combination of classical molecular dynamics using automatically generated force fields and quantum chemical EPR parameter calculations." @default.
- W2788549069 created "2018-03-06" @default.
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- W2788549069 date "2018-01-01" @default.
- W2788549069 modified "2023-09-25" @default.
- W2788549069 title "Towards reliable references for electron paramagnetic resonance parameters based on quantum chemistry: the case of verdazyl radicals" @default.
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- W2788549069 doi "https://doi.org/10.1039/c7cp05657e" @default.
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