Zobrazeno 1 - 10
of 10
pro vyhledávání: '"Toshihiro Sakuma"'
Autor:
Hiroki Takahata, Isao Adachi, Atsushi Kato, Yoshihiro Natori, Toshihiro Sakuma, Hideaki Wakamatsu, Yuichi Yoshimura, Haruka Watanabe
Publikováno v:
Tetrahedron. 75:2866-2876
We achieved synthesis of seven stereoisomers of 1-C-n-butyl-L-iminofuranose derivatives using catalytic asymmetric alkylation and Negishi coupling as key reactions. The synthetic strategy based on these key reactions was quite useful, since both α-
Autor:
Atsushi Kato, Kyoko Kinami, Toshihiro Sakuma, Yuki Hirokami, Hiroki Takahata, Yoshihiro Natori, Isao Adachi, Yuichi Yoshimura, Kasumi Sato
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 24:3298-3301
A series of α-1- C -4′-arylbutyl- l -arabinoiminofuranoses 3 with functional groups attached to the phenyl ring, which are potential α-glycosidase inhibitors, was designed and synthesized by using a Negishi cross-coupling reaction as the key reac
Autor:
Daisuke Yamaki, Takashi Kawakami, Ryo Takeda, Kazuto Nakata, Kizashi Yamaguchi, Satoru Yamada, S. Nakano, Syusuke Yamanaka, Toshihiro Sakuma, Toshikazu Takada
Publikováno v:
International Journal of Quantum Chemistry. 95:512-520
We presented the comparative study of spin correlation functions of generalized spin orbital density functional theory (GSO-DFT) and configuration interaction (CI) wave function (WF) approaches, in particular for simple models. The differences betwee
Publikováno v:
Journal of Computational and Applied Mathematics. 149:351-357
In the post Hartree–Fock theories such as multi-configuration self consistent field and configuration interaction, two electron integral transformation to molecular orbital sets is the most time consuming process for large-scale calculations. Paral
Autor:
Jiro Shimada, Hiroshi Nakada, Hajime Ishii, Satoshi Sekiguchi, Toshikazu Takada, Tadashi Murase, Shun’ichi Sukemura, Hideaki Koike, Kiyoshi Matsubara, Tosiro Osaka, Yukio Hirahara, Toshihiro Sakuma, Yasuharu Okamoto, Akifumi Kato
Publikováno v:
Materials Transactions, JIM. 40:1219-1223
As one of the goals of molecular simulation packages, an on-line simulation system named a virtual microscope is developed, in which chemical reactions are reproduced numerically on supercomputers based on quantum mechanics and Newtonian physics, and
Publikováno v:
International Journal of Quantum Chemistry. 61:137-151
The charge separation occurring in the photosynthetic reaction center is the primary subject in order to understand the whole photosynthetic process. In this article, the electronic structures of the chlorophyll dimer, in which photoexcitation occurs
Publikováno v:
Journal of Crystal Growth. 135:259-268
The chloride ALE (atomic layer epitaxy) technique is now common to grow GaAs crystals, where the GaCl molecule is used to supply Ga atoms for the As dangling bond site. The present ab initio molecular orbital calculations predict that Cl atoms are de
Publikováno v:
International Journal of Quantum Chemistry. 38:93-101
Ab initio MO calculations of the chlorophyll dimer have been carried out. The total energies of the dimer, Bcmp and Bclp, are reported and the dimerization is discussed by the MP2 calculation for a model dimer.
Autor:
Shusuke Yamanaka, Ryo Takeda, Toshihiro Sakuma, Kizashi Yamaguchi, Takashi Kawakami, Kazuto Nakata, Toshikazu Takada
Publikováno v:
Journal of Magnetism and Magnetic Materials. :E255-E256
We investigated the spin structure of a bi-pyramidal Cr5 cluster using ab initio linear combination of Gaussian type orbitals generalized spin density functional theory. We found that a three-dimensional spin state is most stable among several candid
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.