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Daisuke Yamaki

Tokyo Metropolitan University

7

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105

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The functional role of the structure of the dioxo-isobacteriochlorin in the catalytic site of cytochrome cd1 for the reduction of nitrite

2016 Chemical Science
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Effect of the axial ligand on the reactivity of the oxoiron(IV) porphyrin π-cation radical complex: higher stabilization of the product state relative to the reactant state.

2012 Inorganic Chemistry
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Evaluation of Electron Population Terms for 〈rSe−3〉4p, 〈rS−3〉3p, and 〈rO−3〉2p: How Do HOMO and LUMO Shrink or Expand Depending on Nuclear Charges?

2008 Chemistry: A European Journal
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Natural Orbital Analysis of Difference Density Matrix of Cyanide Fe(III) Porphyrins

2008
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Basis set limits of the second order Møller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene

2007 Journal of Chemical Physics
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