Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Hiroo Fukunaga"'
Publikováno v:
Japanese Journal of Applied Physics. 47:4643-4650
In the manufacture of the thin film for liquid crystal devices, we can often find the situation in which the directors are equilibrated under the constraint that fixes only their polar angles on the film surface. We call this surface constraint the "
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::91c5ed522654f55e151c6ee2c3ce2090
https://doi.org/10.1143/jjap.47.4643
https://doi.org/10.1143/jjap.47.4643
Publikováno v:
Nihon Reoroji Gakkaishi. 36:93-98
We study the evaporation process which causes phase separation using the dissipative particle dynamics. To simulate the evaporation, we modify the method introduced by Yamamoto et al: we exchange the solvent particle with the gas particle not in the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::af0c480441d7446d1f11101f4e71f999
https://doi.org/10.1678/rheology.36.93
https://doi.org/10.1678/rheology.36.93
Publikováno v:
The Journal of Chemical Physics. 120:7792-7800
To study the effect of the alkyl tail and the terminal dipole on the stability of the liquid crystalline phase of mesogens, we have carried out molecular dynamics simulations for 1CB(4-methyl-4'-cyanobiphenyl) and 5CB(4-n-pentyl-4'-cyanobiphenyl) by
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7889d3c2f42721b726edd2789b2133ac
https://doi.org/10.1063/1.1687681
https://doi.org/10.1063/1.1687681
Publikováno v:
Bulletin of the Chemical Society of Japan. 76:733-742
To examine the relationship between the structural features and the visible absorption spectra of yellow α-acylacetanilide azomethine dyes, we carried out measurements of the visible absorption spectra, X-ray crystal structure analyses, and density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d3b753d11443110216b81836ed7f3f2
https://doi.org/10.1246/bcsj.76.733
https://doi.org/10.1246/bcsj.76.733
Publikováno v:
The Journal of Chemical Physics. 116:8183-8190
Starting from the united atom model, we construct a coarse-grained model for a flexible polymer chain, in which some successive CH2 atoms are combined into an effective segment. To connect the coarse-grained model with the atomistic model, we propose
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1d7a6bf74a955e1c976eba76a9227e3a
https://doi.org/10.1063/1.1469609
https://doi.org/10.1063/1.1469609
Publikováno v:
Computer Physics Communications. 145:267-279
In this article, we describe a general-purpose coarse-grained molecular dynamics program COGNAC (COarse Grained molecular dynamics program by NAgoya Cooperation). COGNAC has been developed for general molecular dynamics simulation, especially for coa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::54849e068961c08e9da0dce4b234c29d
https://doi.org/10.1016/s0010-4655(02)00271-0
https://doi.org/10.1016/s0010-4655(02)00271-0
Publikováno v:
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals. 365:739-746
We have determined sets of coarse-grained potentials for nCB (4-n-alkyl-4′-cyanobiphenyl) starting from the united atom pair potential of the OPLS force field. As a coarse-grained model, we employed a hybrid Gay-Berne/Lennard-Jones model consisting
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c56e0adc0ec110e1fe59cf29e277fbac
https://doi.org/10.1080/10587250108025353
https://doi.org/10.1080/10587250108025353
Publikováno v:
Journal of Molecular Structure: THEOCHEM. :429-438
We have studied the mechanism for the reaction of p-benzoquinone diimine with phenolate, the model reaction of a key elementary step in oxidative coupling of N,N-dialkyl-p-phenylenediamine with phenolic compounds, using ab initio molecular orbital an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2230b304e76fa4ec9c2d2133539434c
https://doi.org/10.1016/s0166-1280(98)00454-0
https://doi.org/10.1016/s0166-1280(98)00454-0
Publikováno v:
Bulletin of the Chemical Society of Japan. 71:1713-1718
From the viewpoint of noncentrosymmetric molecular arrangement design in crystalline state, which is indispensable to second order nonlinear optical materials, intermolecular hydrogen bond formation of eight 5-benzylidene-2,4-thiazolidinedione deriva
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a81fa171776bf1aabc7499e521a4aa6a
https://doi.org/10.1246/bcsj.71.1713
https://doi.org/10.1246/bcsj.71.1713
2-(1-Pyrrolyl, Diazolyl, and Triazolyl)-Substituted 5-Nitropyridines for Nonlinear Optical Materials
Publikováno v:
Bulletin of the Chemical Society of Japan. 67:1936-1940
2-Azolyl-5-nitropyridines (the generic name “azoles” is hereafter used for pyrrole, diazoles, and triazoles, and “azolyls” for any substituents derived from them) were examined from the viewpoints of the UV-vis absorption properties, the mole
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::65d36f000daf9b874efae1574508d7d9
https://doi.org/10.1246/bcsj.67.1936
https://doi.org/10.1246/bcsj.67.1936