Zobrazeno 1 - 10
of 144
pro vyhledávání: '"Kichisuke Nishimoto"'
Autor:
Takanori Kotera, Takashi Shibahara, Daisuke Yoshioka, Kichisuke Nishimoto, Masahiro Mikuriya, Makoto Handa, Atsushi Fujita
Publikováno v:
IOP Conference Series: Materials Science and Engineering. 835:012024
Mononuclear cobalt(III) complex with 2-[(3-aminopropyl)amino]ethanethiol (Hapaet), [Co(apaet)2]ClO4 (1) and the sulfinate complex, [Co(apaetO2)2]ClO4 (2) were synthesized and characterized by measurements of the elemental analysis, infrared and elect
Publikováno v:
ChemPlusChem. 78:1099-1108
The relative gas-phase acidities of 25 ring-substituted benzoic and phenylacetic acids were theoretically determined with proton-transfer reactions. The energies and geometries of the acids and their corresponding anions, which were involved in the r
Publikováno v:
Journal of Physical Organic Chemistry. 26:115-123
Relative gas-phase stabilities of 25 kinds of ring-substituted phenoxide anions were determined theoretically using proton transfer reactions. The energies and geometries of phenoxide anions and their corresponding phenols, which are involved in the
Publikováno v:
Journal of Physical Organic Chemistry. 23:1057-1065
The substituent effects on the relative gas-phase stabilities of 16 kinds of benzylic anion systems were determined theoretically using proton transfer reactions. The energies and geometries of ring-substituted anions and corresponding neutral specie
Publikováno v:
Journal of Molecular Liquids. 147:139-144
The purpose of this study is to investigate the structures and reactivities for the docking complex of cytochrome b5 (b5) and NADH-cytochrome b5 reductase (b5R). The authors performed a molecular dynamics (MD) simulation and quantum mechanical/molecu
Publikováno v:
Journal of Computational Chemistry. 28:727-739
Time-dependent density functional theory has been applied to investigate the electronic absorption spectrum of oxidized and reduced lumiflavin and its derivative, 8-NH(2)-lumiflavin. The calculations allow the authors to explain the origin of the dif
Publikováno v:
Journal of Computer Chemistry, Japan. 6:109-116
チオフェン系アゾ色素は対応する置換アゾベンゼンより長波長側に吸収を示す。この現象(深色性)を明らかにする目的でベンゼン、チオフェン、フラン、ピロール、シクロペンタジエ
Publikováno v:
Journal of Physical Organic Chemistry. 16:323-335
The substituent-dependent stabilization energies (δ X ΔE) of a series of α,α-R 1 R 2 benzyl cations were determined by means of ab initio calculation at the MP2/6-31G*//RHF/6-31G* + ZPE (scaled 0.8929) level, based on the isodesmic hydride transf
Publikováno v:
Journal of Computer Chemistry, Japan. 1:97-102
DFT calculations of the intra molecular site exchange process in square pyramidal five coordinate complexes, [PtX(hfac)2]- (hfac = 1, 1, 1, 5, 5, 5-hexafluoro-2, 4-pentanedionate, X = Cl, Br, I), were performed. The calculation reproduces well the X-
Publikováno v:
Dyes and Pigments. 48:35-41
The first absorption maxima of linear para acenoquinones (LPAs) were calculated by the Pariser–Parr–Pople molecular orbital (PPP MO) method using a novel, two-centre electron repulsion integral new-γ. The spectrochemical softness parameter k in