Zobrazeno 1 - 10
of 114
pro vyhledávání: '"Kazunaka Endo"'
Publikováno v:
Inorganics, Vol 6, Iss 2, p 37 (2018)
Molecular orientation of dyes must be one of the important factors for designing dye-sensitized solar cells (DSSC). As model systems, we have prepared new hybrid materials composed of azobenzene (AZ) and chiral Schiff base Cu(II) complexes (pn(S)Cu a
Externí odkaz:
https://doaj.org/article/f05915f607e84e12838b77129d93d6ae
Publikováno v:
Journal of Biomedical Research & Environmental Sciences. 3:537-546
Collagen and Polylactic Acid (PLA) as biomaterials in the tissue engineering have been investigated for the structure and function in considerably large progress. From a viewpoint of its electronic structures in the subnano-meter range, we investigat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4f9c219bf2a3eb997fdfc8bde76ff589
https://doi.org/10.37871/jbres1476
https://doi.org/10.37871/jbres1476
Publikováno v:
Journal of Molecular Structure. 1122:341-349
We simulated valence X-ray photoelectron spectra (VXPS) of five [(CH2CH(CH3))n {poly(propyrene) PP}, ((CH2CH(C5NH4))n {poly(4-vinyl-pyridine) P4VP}, (CH2CHO(CH3))n {poly(vinyl methyl ether) PVME}, (C6H4S)n {poly(phenylene) sulphide PPS}, (CF2CF2)n {p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4aaf26144124f22ea76ce239f1e8ce17
https://doi.org/10.1016/j.molstruc.2016.04.087
https://doi.org/10.1016/j.molstruc.2016.04.087
DFT Simulation of Electron Spectra for Auger Electron and Photoelectron Spectra of Lithium Compounds
Publikováno v:
Russian Journal of Physical Chemistry A. 90:817-826
(Li, O, F)-Auger electron, and X-ray photoelectron spectra (AES, VXPS) of solid lithium compounds (Li metal, LiCl, LiF, Li2O) are simulated by deMon density functional theory (DFT) calculations using the model molecules of the unit cell. Calculated v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ae26df22373bd398811637a3a965500
https://doi.org/10.1134/s0036024416040099
https://doi.org/10.1134/s0036024416040099
Autor:
Kazunaka Endo
Publikováno v:
Russian Journal of Physical Chemistry A. 90:390-398
In the Auger electron spectra (AES) simulations, we define theoretical modified kinetic energies of AES in the density functional theory (DFT) calculations. The modified kinetic energies correspond to two final-state holes at the ground state and at
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b99552d83913b6951e83623d8c6dc039
https://doi.org/10.1134/s003602441513021x
https://doi.org/10.1134/s003602441513021x
Publikováno v:
Chemical Physics. 529:110552
We are very interested in elucidating the theoretical reason why the luminescence of Eu(III)-organo-ligand complexes is enhanced in the presence of Zn(II)-Schiff base complexes, or quenched in the addition of Cu(II) ones. The reason for luminescence
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e785dc0e116524b0a61d8c03247cd2d
https://doi.org/10.1016/j.chemphys.2019.110552
https://doi.org/10.1016/j.chemphys.2019.110552
Publikováno v:
Inorganics, Vol 6, Iss 2, p 37 (2018)
Inorganics; Volume 6; Issue 2; Pages: 37
Inorganics; Volume 6; Issue 2; Pages: 37
Molecular orientation of dyes must be one of the important factors for designing dye-sensitized solar cells (DSSC). As model systems, we have prepared new hybrid materials composed of azobenzene (AZ) and chiral Schiff base Cu(II) complexes (pn(S)Cu a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dcb6adb3f91814069bcfd35f174151c9
http://www.mdpi.com/2304-6740/6/2/37
http://www.mdpi.com/2304-6740/6/2/37
Autor:
Kenji Hyodo, Tomonori Ida, Kazuchiyo Takaoka, S. Shimada, Kazunaka Endo, Ernst Z. Kurmaev, Y. Takagi
Publikováno v:
Chemical Physics. 452:31-39
Experimental valence X-ray photoelectron spectra (VXPS) and Auger electron spectra (AES) of (Li, C, N, O, F) elements of four solid substances [graphite, GaN, SiO 2 , LiF] are analyzed by density-functional theory calculations using the model molecul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf4bdbe385f3bafb6397519b2808fedd
https://doi.org/10.1016/j.chemphys.2015.03.001
https://doi.org/10.1016/j.chemphys.2015.03.001
Publikováno v:
Russian Journal of Physical Chemistry A. 88:2370-2379
We have simulated IR and pyrolysis gas chromatography mass spectrometry (Py-GCMS) spectra of six polymers (PE, PP, PS, PET, N6, PVDF) with the density-functional theory and quantum molecular dynamics calculations on model oligomers. In the former cal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0fdaf39b9b95c66581065fbb2417dbe1
https://doi.org/10.1134/s0036024414130081
https://doi.org/10.1134/s0036024414130081
Autor:
Tomonori Ida, Makoto Tadokoro, Motohiro Mizuno, Daisuke Matsumoto, Nobuhiko Kato, Kazunaka Endo, You Suzuki
Publikováno v:
Journal of Molecular Structure. 1032:275-280
金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系
We investigated the static structures and dynamic behaviors for guest molecules (CH4 and CO2) in small and large cavities which are composed of 20 and 24 wat
We investigated the static structures and dynamic behaviors for guest molecules (CH4 and CO2) in small and large cavities which are composed of 20 and 24 wat
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::04a98d77d11cf29a9c5683e501f25038
https://doi.org/10.1016/j.molstruc.2012.10.015
https://doi.org/10.1016/j.molstruc.2012.10.015