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Density Functional Theory Investigation of Hyperfine Interaction in DNA Nucleobase and Nucleotide Muoniated Radicals

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Density Functional Theory method at B3LYP/6-311++G(d,p) level of theory was successfully applied to investigate the structure, energy, and associated muonium hyperfine coupling constant of radicals... Click to show full abstract

Density Functional Theory method at B3LYP/6-311++G(d,p) level of theory was successfully applied to investigate the structure, energy, and associated muonium hyperfine coupling constant of radicals...

Keywords: theory; theory investigation; density functional; investigation hyperfine; functional theory

Journal Title: Journal of the Physical Society of Japan
Year Published: 2021

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