Zobrazeno 1 - 10 of 10 pro vyhledávání: '"Iori Era"'
1
Akademický článek
Theoretical Study on Redox Potential Control of Iron-Sulfur Cluster by Hydrogen Bonds: A Possibility of Redox Potential Programming
Autor: Iori Era, Yasutaka Kitagawa, Natsumi Yasuda, Taigo Kamimura, Naoka Amamizu, Hiromasa Sato, Keigo Cho, Mitsutaka Okumura, Masayoshi Nakano
Publikováno v: Molecules, Vol 26, Iss 20, p 6129 (2021)
The effect of hydrogen bonds around the active site of Anabaena [2Fe-2S] ferredoxin (Fd) on a vertical ionization potential of the reduced state (IP(red)) is examined based on the density functional theory (DFT) calculations. The results indicate tha
Externí odkaz: https://doaj.org/article/4f691b95f2af41f7bc928083e8c37860
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2
Akademický článek
Theoretical Study on Magnetic Interaction in Pyrazole-Bridged Dinuclear Metal Complex: Possibility of Intramolecular Ferromagnetic Interaction by Orbital Counter-Complementarity
Autor: Takuya Fujii, Yasutaka Kitagawa, Kazuki Ikenaga, Hayato Tada, Iori Era, Masayoshi Nakano
Publikováno v: Magnetochemistry, Vol 6, Iss 1, p 10 (2020)
A possibility of the intramolecular ferromagnetic (FM) interaction in pyrazole-bridged dinuclear Mn(II), Fe(II), Co(II), and Ni(II) complexes is examined by density functional theory (DFT) calculations. When azide is used for additional bridging liga
Externí odkaz: https://doaj.org/article/03321b2c702a4993ba90afc7c23b78ae
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3
Akademický článek
Theoretical Study on the Difference in Electron Conductivity of a One-Dimensional Penta-Nickel(II) Complex between Anti-Ferromagnetic and Ferromagnetic States—Possibility of Molecular Switch with Open-Shell Molecules
Autor: Yasutaka Kitagawa, Hayato Tada, Iori Era, Takuya Fujii, Kazuki Ikenaga, Masayoshi Nakano
Publikováno v: Molecules, Vol 24, Iss 10, p 1956 (2019)
The electron conductivity of an extended metal atom chain (EMAC) that consisted of penta-nickel(II) ions bridged by oligo-α-pyridylamino ligands was examined by density functional theory (DFT) and elastic scattering Green’s functions (ESGF) calcul
Externí odkaz: https://doaj.org/article/3f37499046c64d9facc9ab9a476dda96
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4
Akademický článek
Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)3 Complexes
Autor: Yoshiki Natori, Yasutaka Kitagawa, Shogo Aoki, Rena Teramoto, Hayato Tada, Iori Era, Masayoshi Nakano
Publikováno v: Molecules, Vol 23, Iss 3, p 577 (2018)
The fac-Ir(ppy)3 complex, where ppy denotes 2-phenylpyridine, is one of the well-known luminescent metal complexes having a high quantum yield. However, there have been no specific molecular design guidelines for color tuning. For example, it is stil
Externí odkaz: https://doaj.org/article/9054e04439bc40f797616ca3d39ad55a
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5
Theoretical Study on Redox Potential Control of Iron-Sulfur Cluster by Hydrogen Bonds: A Possibility of Redox Potential Programming
Autor: Yasutaka Kitagawa, Mitsutaka Okumura, Hiromasa Sato, Natsumi Yasuda, Naoka Amamizu, Iori Era, Masayoshi Nakano, Keigo Cho, Taigo Kamimura
Publikováno v: Molecules, Vol 26, Iss 6129, p 6129 (2021)
Molecules
Volume 26
Issue 20
The effect of hydrogen bonds around the active site of Anabaena [2Fe-2S] ferredoxin (Fd) on a vertical ionization potential of the reduced state (IP(red)) is examined based on the density functional theory (DFT) calculations. The results indicate tha
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d88dfceb05f9595641384a5ace2ce006
https://www.mdpi.com/1420-3049/26/20/6129
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6
Theoretical Study on Magnetic Interaction in Pyrazole-Bridged Dinuclear Metal Complex: Possibility of Intramolecular Ferromagnetic Interaction by Orbital Counter-Complementarity
Autor: Masayoshi Nakano, Takuya Fujii, Yasutaka Kitagawa, Hayato Tada, Kazuki Ikenaga, Iori Era
Publikováno v: Magnetochemistry
Volume 6
Issue 1
Magnetochemistry, Vol 6, Iss 1, p 10 (2020)
A possibility of the intramolecular ferromagnetic (FM) interaction in pyrazole-bridged dinuclear Mn(II), Fe(II), Co(II), and Ni(II) complexes is examined by density functional theory (DFT) calculations. When azide is used for additional bridging liga
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6cada35f9618b8bf7c000f8555d0b7ad
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8
Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)3 Complexes
Autor: Iori Era, Rena Teramoto, Yoshiki Natori, Shogo Aoki, Hayato Tada, Masayoshi Nakano, Yasutaka Kitagawa
Publikováno v: Molecules, Vol 23, Iss 3, p 577 (2018)
Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry
Molecules; Volume 23; Issue 3; Pages: 577
The fac-Ir(ppy)₃ complex, where ppy denotes 2-phenylpyridine, is one of the well-known luminescent metal complexes having a high quantum yield. However, there have been no specific molecular design guidelines for color tuning. For example, it is st
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b7f6d37c802b0b77d7a13a45595236b
http://www.mdpi.com/1420-3049/23/3/577
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10
Akademický článek
Quantum Chemical Design Guidelines for Absorption and Emission Color Tuning of fac-Ir(ppy)3 Complexes.
Autor: Yoshiki Natori, Yasutaka Kitagawa, Shogo Aoki, Rena Teramoto, Hayato Tada, Iori Era, Masayoshi Nakano
Publikováno v: Molecules; Mar2018, Vol. 23 Issue 3, p577, 10p, 4 Diagrams, 4 Charts, 1 Graph
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