Zobrazeno 1 - 10
of 69
pro vyhledávání: '"Shin-Ichi Furukawa"'
Publikováno v:
Electronics & Communications in Japan, Part 1: Communications. Jan1992, Vol. 75 Issue 1, p24-35. 12p.
Autor:
Hajime Ohno, Suguru Ohta, Ryohei Kishi, Fumihiro Miki, Masayoshi Nakano, Hideaki Takahashi, Shin-ichi Furukawa
Publikováno v:
Journal of Mathematical Chemistry. 46:781-794
The reaction mechanism for the dehydration of 1,4-butanediol in hot water has been investigated by means of the hybrid quantum mechanical/molecular mechanical approach combined with the theory of energy representation (QM/MM-ER). We have assumed that
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc1cbab9ad733e1f965133b04a9ae362
https://doi.org/10.1007/s10910-009-9544-2
https://doi.org/10.1007/s10910-009-9544-2
Autor:
Shin Ichi Furukawa, Tsukasa Yoshihara, Naoki Aoyama, Masayoshi Nakano, Hideaki Takahashi, Tomoshige Nitta
Publikováno v:
Fluid Phase Equilibria. 257:212-216
Two types of molecular simulation techniques have been utilized to investigate adsorption of methanol/water mixtures in a mesoporous silica with a hydrophobic pore surface: the NVT-ensemble Molecular Dynamics method with the melt-quench algorithm for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::043a512e77703cce7059cbe0afdf3c64
https://doi.org/10.1016/j.fluid.2007.01.039
https://doi.org/10.1016/j.fluid.2007.01.039
Autor:
Masayoshi Nakano, Tomoshige Nitta, Ken ichiro Yonemori, Shin Ichi Furukawa, Hideaki Takahashi, Atsushi Takitani
Publikováno v:
Fluid Phase Equilibria. 257:190-194
In order to make clear the relationship between the pore structure and the diffusivity, we have carried out permeation simulations of pure gases through simple model membranes by using the external-field non-equilibrium molecular dynamics method. As
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3424d120db639b95820ce58c49860ab
https://doi.org/10.1016/j.fluid.2007.01.030
https://doi.org/10.1016/j.fluid.2007.01.030
Publikováno v:
The Journal of Physical Chemistry B. 111:581-588
We have applied the quantum mechanical/molecular mechanical (QM/MM) method combined with the theory of energy representation (ER) to study the acidity of acetic acid in aqueous solution. We have focused our attention on the relative acidity DeltapK(a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b09a8f51d879e4abc36dd8c0cadc17b3
https://doi.org/10.1021/jp066334d
https://doi.org/10.1021/jp066334d
Autor:
Ryohei Kishi, Nozomi Nakagawa, Hideaki Takahashi, Masayoshi Nakano, Shin-ichi Furukawa, Suguru Ohta
Publikováno v:
Scopus-Elsevier
We investigate the intermolecular-interaction effects on the longitudinal second hyperpolarizabilities (γ) for two types of π−π stacking clusters: C$_{5}$H$_{7}^{p}$ dimer and π-conjugated main chains (C$_{n}$H$_{np2}$, 6 l n l 16) interacting
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f688974d4b3147546c4adf8d27345fc3
https://doi.org/10.3233/jcm-2006-61-417
https://doi.org/10.3233/jcm-2006-61-417
Autor:
Shin Ichi Furukawa, Yasushi Morita, Benoît Champagne, Akihito Takebe, Suguru Ohta, Hideaki Takahashi, Masayoshi Nakano, Takashi Kubo, Kenji Kamada, Edith Botek, Ryohei Kishi, Koji Ohta, Kazuhiro Nakasuji, Masahito Nate
Publikováno v:
Chemical Physics Letters. 432(4-6):473-479
We investigate the longitudinal static second hyperpolarizabilities ( γ ) of open-shell singlet one-dimensional systems. The intersite interaction effects on the average diradical character and size dependences of γ are examined using hydrogen chai
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c25cde9e3feaffe9f870b5ede31b65c
https://doi.org/10.1016/j.cplett.2006.10.082
https://doi.org/10.1016/j.cplett.2006.10.082
Autor:
Kazuhiro Nakasuji, Kenji Kamada, Koji Ohta, Masayoshi Nakano, Edith Botek, Takashi Kubo, Benoît Champagne, Ryohei Kishi, Kizashi Yamaguchi, Hideaki Takahashi, Yasushi Morita, Suguru Ohta, Nozomi Nakagawa, Shin-ichi Furukawa
Publikováno v:
Chemical Physics Letters. 429(1-3):174-179
We have investigated the structural dependence of static second hyperpolarizabilities (γ) of polycyclic diphenalenyl radicals, i.e., IDPL, as-IDPL and TDPL, using the hybrid density functional theory method. It turns out that the diradical character
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f241e067b56672c95c86a7007941fb08
https://doi.org/10.1016/j.cplett.2006.07.065
https://doi.org/10.1016/j.cplett.2006.07.065
Publikováno v:
The European Physical Journal D. 38:523-532
We investigate the relaxation effects on the dynamics of two-component dilute gas Bose-Einstein condensates (BEC) with relatively different two-body interactions and Josephson couplings between the two components. Three types of relaxation effects, i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ce11e5c7b8ff8453f437ca1b61bec3f2
https://doi.org/10.1140/epjd/e2006-00049-7
https://doi.org/10.1140/epjd/e2006-00049-7
Autor:
Shin Ichi Furukawa, Hideaki Takahashi, Kazuhiro Nakasuji, Shin Ya Umezaki, Ryohei Kishi, Takashi Kubo, Suguru Ohta, Kizashi Yamaguchi, Koji Ohta, Yasushi Morita, Akihito Takebe, Masayoshi Nakano, Edith Botek, Nozomi Nakagawa, Benoît Champagne, Kenji Kamada
Publikováno v:
Chemical Physics Letters. 420:432-437
The static second hyperpolarizability (γ) of a singlet diradical system involving phenalenyl radicals linked with acetylene π-conjugated bridge, BPLE, is investigated as well as reference closed-shell systems, BPRY1 and BPRY2, by the hybrid density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::92adbc8d2bbb2fa99f3c81e463623ec4
https://doi.org/10.1016/j.cplett.2006.01.022
https://doi.org/10.1016/j.cplett.2006.01.022