Zobrazeno 1 - 10
of 29
pro vyhledávání: '"Ryunosuke Note"'
The subject of this supplement to Landolt-Börnstein IV/22 Series is to present both the numerical and graphical data on the various magnetic properties of materials under pressure. Data for transition metal binary oxides MmOn [M: transition metals
Autor:
Yoshiyuki Kawazoe, Ryunosuke Note
The subject of this volume is to present both the numerical and graphical data on the magnetic and electrical properties of magnetic metallic multilayers which are composed with stacking up of double layers of thin films, one layer of which is at lea
Autor:
Hiroshi Abe, Ryunosuke Note, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Junko Habasaki, Ikuyoshi Tomita
Publikováno v:
Journal of Inorganic and Organometallic Polymers and Materials. 22:845-851
In order to simulate the thermal behavior of one of the most useful inorganic–organic hybrid materials, octa-functional polyhedral oligomeric silsesquioxane (POSS), molecular dynamics (MD) simulations of crystals of POSSs having methyl, i-butyl, an
Autor:
Natarajan Sathiyamoorthy Venkataramanan, Rodion Vladimirovich Belosludov, Ryunosuke Note, Ryoji Sahara, Hiroshi Mizuseki, Yoshiyuki Kawazoe
Publikováno v:
Chemical Physics. 377:54-59
First-principles calculations have been used to investigate hydrogen adsorption on alkali atom doped B 36 N 36 clusters. The alkali atom adsorption takes place near the six tetragonal bridge sites available on the cage, thereby avoiding the notorious
Autor:
Natarajan Sathiyamoorthy Venkataramanan, Ambigapathy Suvitha, Ryunosuke Note, Yoshiyuki Kawazoe
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 902:72-78
We conducted DFT studies on the YnAlm binary clusters of size n + m 6 6, to study electronic propertyvariation, using the PBE1PBE method and Lanl2DZ as basis set. The ground-state geometries of yttrium(n P 4) prefer 3D geometry and Al (m 6 5) desires
Autor:
Shigeki SAITO, Talgat INERBAEV, Hiroshi MIZUSEKI, Nobuaki IGARASHI, Ryunosuke NOTE, Yoshiyuki KAWAZOE
Publikováno v:
Journal of the Spectroscopical Society of Japan. 57:12-22
Autor:
Shigeki Saito, Talgat M. Inerbaev, Hiroshi Mizuseki, Nobuaki Igarashi, Ryunosuke Note, Yoshiyuki Kawazoe
Publikováno v:
Chemical Physics Letters. 433:86-90
The surface and bulklike phonon modes of Si(1 0 0) c (4 × 2) nanometer-thin film were investigated using density functional calculations with a 4 × 4 supercell consisting of 10 layers. The surface phonon modes were dispersed over a wide range with
Autor:
Shigeki Saito, Talgat M. Inerbaev, Hiroshi Mizuseki, Nobuaki Igarashi, Ryunosuke Note, Yoshiyuki Kawazoe
Publikováno v:
Chemical Physics Letters. 432:157-162
First-principles calculations of the phonon modes of 4′-dimethylamino- N -methyl-4-stilbazolium tosylate in the terahertz region were performed using periodic density functional calculations. The calculated far-infrared (FIR) spectrum estimated fro
Autor:
Shigeki Saito, Talgat M. Inerbaev, Hiroshi Mizuseki, Nobuaki Igarashi, Ryunosuke Note, Yoshiyuki Kawazoe
Publikováno v:
Chemical Physics Letters. 423:439-444
First-principles calculations of single molecular vibrations and the crystalline phonons of an anhydrous β- d -glucopyranose monosaccharide crystal in the terahertz region were performed using periodic density functional theory (DFT) calculations. T
Publikováno v:
Nano Letters. 6:920-925
We study the electronic and atomic structures of hydrogenated silicon nanowires (SiNWs) by changing the mean diameter, morphology, and orientation using state-of-the-art density functional calculations. Most of the SiNWs are found to have large and d