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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Significant Solvent Effect on Reactivity of Oxoiron(IV) Porphyrin π-Cation Radical Complex: Activation in n-Alkane

Kanako Ueno1, Yuri Ishimizu1, Hiroshi Fujii1

  • 1Department of Chemistry, Graduate School of Humanities and Sciences, Nara Women's University, Kitauoyanishi, Nara 630-8506, Japan.

Inorganic Chemistry
|June 14, 2021
PubMed

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