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Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals
Ohtsuka, Y; Piecuch, P; Gour, JR; Ehara, M; Nakatsuji, H (2007-04-28)
JOURNAL OF CHEMICAL PHYSICS, 126(16)
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Density functional study on geometry and electronic structure of nitrile hydratase active site model
Nowak, W; Ohtsuka, Y; Hasegawa, J; Nakatsuji, H (2002)
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 90(3): 1174-1187
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Dihydride formation in the reaction of water with Si(111)-(7 x 7)
Yamada, T; Ohtsuka, Y; Okuyama, H; Aruga, T (2005-12)
PHYSICAL REVIEW B, 72(23)
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Electron transfer in the c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis: Ab initio theoretical study
Ohtsuka, Y; Ohkawa, K; Nakatsuji, H (2001)
JOURNAL OF COMPUTATIONAL CHEMISTRY, 22(5): 521-527
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Inner-shell ionizations and satellites studied by the open-shell reference symmetry-adapted cluster/symmetry-adapted cluster configuration-interaction method
Ohtsuka, Y; Nakatsuji, H (2006-02-07)
JOURNAL OF CHEMICAL PHYSICS, 124(5)
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Inner-shell ionizations and satellites studied by the open-shell reference symmetry-adapted cluster/symmetry-adapted cluster configuration-interaction method
Ohtsuka, Y; Nakatsuji, H (2006)
JOURNAL OF CHEMICAL PHYSICS, 124(5)
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Secondary oxidation product on Si(111)-(7x7) characterized by isotope-labeled vibrational spectroscopy
Okuyama, H; Ohtsuka, Y; Aruga, T (2005-06-15)
JOURNAL OF CHEMICAL PHYSICS, 122(23)
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Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiophene
Ehara, M; Ohtsuka, Y; Nakatsuji, H; Takahashi, M; Udagawa, Y (2005-06-15)
JOURNAL OF CHEMICAL PHYSICS, 122(23)
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Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiophene
Ehara, M; Ohtsuka, Y; Nakatsuji, H; Takahashi, M; Udagawa, Y (2005)
JOURNAL OF CHEMICAL PHYSICS, 122(23)
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