A B3LYP study on the mechanism of second H2O formation in a fully reduced cytochrome c oxidase
Mitani, Masaki, Inoue, Machiko, Yoshioka, Yasunori
Published in Chemical physics letters (08.06.2007)
Published in Chemical physics letters (08.06.2007)
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Journal Article
A B3LYP study of proton transfer path within a complex of benzene radical cation and water cluster
Shimizu, Moriyuki, Yamashita, Emi, Mitani, Masaki, Yoshioka, Yasunori
Published in Chemical physics letters (04.12.2006)
Published in Chemical physics letters (04.12.2006)
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Journal Article
Studies of the X-ray absorption spectra of some methylcyano esters
Takahashi, Osamu, Saito, Ko, Mitani, Masaki, Yoshida, Hiroaki, Tahara, Fumitaka, Sunami, Tetsuji, Waki, Keiichiro, Senba, Yasunori, Hiraya, Atsunari, Pettersson, Lars G.M.
Published in Journal of electron spectroscopy and related phenomena (01.02.2005)
Published in Journal of electron spectroscopy and related phenomena (01.02.2005)
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Journal Article
Theoretical studies on the molecular dependence of the bond dissociation after the core excitations. CH3OCO(CH2)nCN, n=0, 1, 2
Takahashi, Osamu, Mitani, Masaki, Joyabu, Masanori, Saito, Ko, Iwata, Suehiro
Published in Journal of electron spectroscopy and related phenomena (01.10.2001)
Published in Journal of electron spectroscopy and related phenomena (01.10.2001)
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Journal Article
Geometry optimization of polymers by the elongation method
Mitani, Masaki, Aoki, Yuriko, Imamura, Akira
Published in International journal of quantum chemistry (1997)
Published in International journal of quantum chemistry (1997)
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Journal Article
Possibility of charge-mediated superconductors in the intermediate region of metal-insulator transitions
Nagao, Hidemi, Mitani, Masaki, Nishino, Masamichi, Shigeta, Yasuteru, Yoshioka, Yasunori, Yamaguchi, Kizashi
Published in International journal of quantum chemistry (1998)
Published in International journal of quantum chemistry (1998)
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Journal Article
Density Functional Study on Geometrical Features and Electronic Structures of Di-μ-oxo-Bridged [Mn2O2(H2O)8] q + with Mn(II), Mn(III), and Mn(IV)
Mitani, Masaki, Wakamatsu, Yohei, Katsurada, Takeharu, Yoshioka, Yasunori
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.12.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.12.2006)
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Journal Article
Theoretical molecular Auger spectra with electron population analysis
Mitani, Masaki, Takahashi, Osamu, Saito, Ko, Iwata, Suehiro
Published in Journal of electron spectroscopy and related phenomena (01.02.2003)
Published in Journal of electron spectroscopy and related phenomena (01.02.2003)
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Journal Article
Possibilities of charge- and/or spin-mediated superconductors and photo-induced superconductors in the intermediate region of metal-insulator transitions
Nagao, Hidemi, Mitani, Masaki, Nishino, Masamichi, Yoshioka, Yasunori, Yamaguchi, Kizashi
Published in International journal of quantum chemistry (1997)
Published in International journal of quantum chemistry (1997)
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Journal Article
Theoretical studies on the molecular dependence of the bond dissociation after the core excitations. CH 3OCO(CH 2) nCN, n=0, 1, 2
Takahashi, Osamu, Mitani, Masaki, Joyabu, Masanori, Saito, Ko, Iwata, Suehiro
Published in Journal of electron spectroscopy and related phenomena (2001)
Published in Journal of electron spectroscopy and related phenomena (2001)
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Journal Article
Theoretical studies on anomalous phases in molecular systems with external field: Possibility of photo-induced superconductivity
Nagao, Hidemi, Mitani, Masaki, Nishino, Masamichi, Shigeta, Yasuteru, Yoshioka, Yasunori, Yamaguchi, Kizashi
Published in International journal of quantum chemistry (1999)
Published in International journal of quantum chemistry (1999)
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Journal Article
Ab Initio Crystal Orbital Study of Ferromagnetic Interactions of Spins in Polymer Comprising Phenylenevinylene
Mitani, Masaki, Takano, Yu, Yamaki, Daisuke, Yoshioka, Yasunori, Yamaguchi, Kizashi
Published in Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals (01.09.1999)
Published in Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals (01.09.1999)
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Journal Article
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