Delocalization of the Excited State and Emission Spectrum of the Platinum(II) Bipyridine Complex in Crystal: Periodic QM/MM Study by Nakagaki, Masayuki, Aono, Shinji, Kato, Masako, Sakaki, Shigeyoshi

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How to understand very weak Cr–Cr double bonds and negative spin populations in trinuclear Cr complexes: theoretical insight by Nakagaki, Masayuki, Nakatani, Naoki, Sakaki, Shigeyoshi

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Theoretical Study on the Vapochromic Ni(II)–Quinonoid Complex: One-Dimensional Stacking Structure-Based Color Switching by Nomiya, Kaito, Nakatani, Naoki, Nakayama, Naofumi, Goto, Hitoshi, Nakagaki, Masayuki, Sakaki, Shigeyoshi, Yoshida, Masaki, Kato, Masako, Hada, Masahiko

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CASPT2 study of inverse sandwich-type dinuclear 3d transition metal complexes of ethylene and dinitrogen molecules: similarities and differences in geometry, electronic structure,... by Nakagaki, Masayuki, Sakaki, Shigeyoshi

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Theoretical Study of One-Electron Oxidized Mn(III)– and Ni(II)–Salen Complexes: Localized vs Delocalized Ground and Excited States in Solution by Aono, Shinji, Nakagaki, Masayuki, Kurahashi, Takuya, Fujii, Hiroshi, Sakaki, Shigeyoshi

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Observation of a catalytic proton/hydrogen atom relay in microsolvated 7-azaindole-methanol cluster enhanced by a cooperative motion of the hydrogen-bonded network by Sakota, Kenji, Komoto, Yusuke, Nakagaki, Masayuki, Ishikawa, Wataru, Sekiya, Hiroshi

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Hetero-dinuclear complexes of 3d metals with a bridging dinitrogen ligand: theoretical prediction of the characteristic features of geometry and spin multiplicity by Nakagaki, Masayuki, Sakaki, Shigeyoshi

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How to understand very weak CrCr double bonds and negative spin populations in trinuclear Cr complexes: theoretical insight by Nakagaki, Masayuki, Nakatani, Naoki, Sakaki, Shigeyoshi

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CASPT2 study of inverse sandwich-type dinuclear 3d transition metal complexes of ethylene and dinitrogen molecules: similarities and differences in geometry, electronic structure,... by Nakagaki, Masayuki, Sakaki, Shigeyoshi

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CASPT2 Study of Inverse Sandwich-Type Dinuclear Cr(I) and Fe(I) Complexes of the Dinitrogen Molecule: Significant Differences in Spin Multiplicity and Coordination Structure betwee... by Nakagaki, Masayuki, Sakaki, Shigeyoshi

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Theoretical study of one-electron-oxidized salen complexes of group 7 (Mn(iii), Tc(iii), and Re(iii)) and group 10 metals (Ni(ii), Pd(ii), and Pt(ii)) with the 3D-RISM-GMC-QDPT met... by Aono, Shinji, Nakagaki, Masayuki, Sakaki, Shigeyoshi

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Theoretical study of one-electron-oxidized salen complexes of group 7 (Mn(iii), Tc(iii), and Re(iii)) and group 10 metals (Ni(ii), Pd(ii), and Pt(ii)) with the 3D-RISM-GMC-QDPT met... by Aono, Shinji, Nakagaki, Masayuki, Sakaki, Shigeyoshi

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Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies by Takagi, Nozomi, Nakagaki, Masayuki, Ishimura, Kazuya, Fukuda, Ryoichi, Ehara, Masahiro, Sakaki, Shigeyoshi

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A model two-dimensional potential for internal rotation of 9-methylanthracene studied by electronic spectroscopy and DFT calculations by Nakagaki, Masayuki, Nishi, Eriko, Sakota, Kenji, Nakano, Haruyuki, Sekiya, Hiroshi

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Development of dissociative force field for all‐atomistic molecular dynamics calculation of fracture of polymers by Fujimoto, Kazushi, Payal, Rajadeep Singh, Hattori, Tomonori, Shinoda, Wataru, Nakagaki, Masayuki, Sakaki, Shigeyoshi, Okazaki, Susumu

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Reactions of Silanone(silyl)tungsten and -molybdenum Complexes with MesCNO, (Me2SiO)3, MeOH, and H2O: Experimental and Theoretical Studies by Muraoka, Takako, Kimura, Haruhiko, Trigagema, Gama, Nakagaki, Masayuki, Sakaki, Shigeyoshi, Ueno, Keiji

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Internal rotation of methyl group in 2- and 1-methylanthracene studied by electronic spectroscopy and DFT calculations by Nakagaki, Masayuki, Nishi, Eriko, Sakota, Kenji, Nishi, Kaori, Nakano, Haruyuki, Sekiya, Hiroshi

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Reactions of Silanone(silyl)tungsten and -molybdenum Complexes with MesCNO, (Me 2 SiO) 3 , MeOH, and H 2 O: Experimental and Theoretical Studies by Muraoka, Takako, Kimura, Haruhiko, Trigagema, Gama, Nakagaki, Masayuki, Sakaki, Shigeyoshi, Ueno, Keiji

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Formation of a surface complex between polymer and surfactant and its effect on the dispersion of solid particles by Shimabayashi, Saburo, Uno, Tadayuki, Nakagaki, Masayuki

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Crystal Structure of DL-12-Hydroxystearic Acid by Kuwahara, Tetsuro, Nagase, Hiromasa, Endo, Tomohiro, Ueda, Haruhisa, Nakagaki, Masayuki

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