Search Results - Nishihara, Satomichi

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  1. 1
    Theory of chemical bonds in metalloenzymes. XV. Local singlet and triplet diradical mechanisms for radical coupling reactions in the oxygen evolution complex

    Theory of chemical bonds in metalloenzymes. XV. Local singlet and triplet diradical mechanisms for radical coupling reactions in the oxygen evolution complex by Yamaguchi, Kizashi, Shoji, Mitsuo, Saito, Toru, Isobe, Hiroshi, Nishihara, Satomichi, Koizumi, Kenichi, Yamada, Satoru, Kawakami, Takashi, Kitagawa, Yasutaka, Yamanaka, Shusuke, Okumura, Mitsutaka

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  2. 2
    First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results

    First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results by Yamaguchi Kizashi, Nishihara Satomichi, Saito Toru, Yamanaka Shusuke, Kitagawa Yasutaka, Kawakami, Takashi, Yamada Satoru, Isobe, Hiroshi, Okumura Mitsutaka

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  3. 3
    MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions

    MkMRCC, APUCC and APUBD approaches to 1,n-didehydropolyene diradicals: the nature of through-bond exchange interactions by Nishihara, Satomichi, Saito, Toru, Yamanaka, Shusuke, Kitagawa, Yasutaka, Kawakami, Takashi, Okumura, Mitsutaka, Yamaguchi, Kizashi

    Published in Molecular physics
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  4. 4
    MkMRCC, APUCC, APUBD calculations of didehydronated species: comparison among calculated through-bond effective exchange integrals for diradicals

    MkMRCC, APUCC, APUBD calculations of didehydronated species: comparison among calculated through-bond effective exchange integrals for diradicals by Saito, Toru, Nishihara, Satomichi, Yamanaka, Shusuke, Kitagawa, Yasutaka, Kawakami, Takashi, Okumura, Mitsutaka, Yamaguchi, Kizashi

    Published in Molecular physics
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  5. 5
    Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules

    Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecul... by Saito, Toru, Nishihara, Satomichi, Yamanaka, Shusuke, Kitagawa, Yasutaka, Kawakami, Takashi, Yamada, Satoru, Isobe, Hiroshi, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  6. 6
    Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations

    Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations by Hagiwara, Satoshi, Nishihara, Satomichi, Kuroda, Fumiaki, Otani, Minoru

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  7. 7
    Extended Hartree-Fock theory of chemical reactions. VIII. Hydroxylation reactions by P450

    Extended Hartree-Fock theory of chemical reactions. VIII. Hydroxylation reactions by P450 by Isobe, Hiroshi, Nishihara, Satomichi, Shoji, Mitsuo, Yamanaka, Shusuke, Shimada, Jiro, Hagiwara, Masayuki, Yamaguchi, Kizashi

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  8. 8
    Bias-dependent diffusion of a H 2 O molecule on metal surfaces by the first-principles method under the grand-canonical ensemble

    Bias-dependent diffusion of a H 2 O molecule on metal surfaces by the first-principles method under the grand-canonical ensemble by Hagiwara, Satoshi, Hu, Chunping, Nishihara, Satomichi, Otani, Minoru

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  9. 9
    Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multireference Coupled-Cluster Calculations

    Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multireference Coupled-Cluster Calculations by Saito, Toru, Nishihara, Satomichi, Kataoka, Yusuke, Nakanishi, Yasuyuki, Kitagawa, Yasutaka, Kawakami, Takashi, Yamanaka, Shusuke, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  10. 10
    Singlet–triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: single- and multireference computational results

    Singlet–triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: single- and multireference computational results by Saito, Toru, Nishihara, Satomichi, Yamanaka, Shusuke, Kitagawa, Yasutaka, Kawakami, Takashi, Yamada, Satoru, Isobe, Hiroshi, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  11. 11
    Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecules

    Symmetry and broken symmetry in molecular orbital description of unstable molecules IV: comparison between single- and multi-reference computational results for antiaromtic molecul... by Saito, Toru, Nishihara, Satomichi, Yamanaka, Shusuke, Kitagawa, Yasutaka, Kawakami, Takashi, Yamada, Satoru, Isobe, Hiroshi, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  12. 12
    Singlet–triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: single- and multireference computational results

    Singlet–triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: single- and multireference computational results by Saito, Toru, Nishihara, Satomichi, Yamanaka, Shusuke, Kitagawa, Yasutaka, Kawakami, Takashi, Yamada, Satoru, Isobe, Hiroshi, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  13. 13
    Broken-symmetry natural orbital (BSNO)–Mk-MRCC study on the exchange coupling in the binuclear copper(II) compounds

    Broken-symmetry natural orbital (BSNO)–Mk-MRCC study on the exchange coupling in the binuclear copper(II) compounds by Saito, Toru, Yasuda, Natsumi, Nishihara, Satomichi, Yamanaka, Shusuke, Kitagawa, Yasutaka, Kawakami, Takashi, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  14. 14
    A broken-symmetry study on the automerization of cyclobutadiene. Comparison with UNO- and DNO-MRCC methods

    A broken-symmetry study on the automerization of cyclobutadiene. Comparison with UNO- and DNO-MRCC methods by Saito, Toru, Nishihara, Satomichi, Kitagawa, Yasutaka, Kawakami, Takashi, Yamanaka, Shusuke, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  15. 15
    Multireference Character of 1,3-Dipolar Cycloaddition of Ozone with Ethylene and Acrylonitrile

    Multireference Character of 1,3-Dipolar Cycloaddition of Ozone with Ethylene and Acrylonitrile by Saito, Toru, Nishihara, Satomichi, Kataoka, Yusuke, Nakanishi, Yasuyuki, Kitagawa, Yasutaka, Kawakami, Takashi, Yamanaka, Shusuke, Okumura, Mitsutaka, Yamaguchi, Kizashi

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  16. 16
    Bias-dependent diffusion of H\(_2\)O molecules on an Al(111) surface

    Bias-dependent diffusion of H\(_2\)O molecules on an Al(111) surface by Hagiwara, Satoshi, Hu, Chunping, Nishihara, Satomichi, Otani, Minoru

    Published in arXiv.org
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  17. 17
    A New Non-Obese Steatohepatitis Mouse Model with Cardiac Dysfunction Induced by Addition of Ethanol to a High-Fat/High-Cholesterol Diet

    A New Non-Obese Steatohepatitis Mouse Model with Cardiac Dysfunction Induced by Addition of Ethanol to a High-Fat/High-Cholesterol Diet by Shiraishi, Seiji, Liu, Jinyao, Saito, Yuki, Oba, Yumiko, Nishihara, Yuiko, Yoshimura, Satomichi

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