Zobrazeno 1 - 10
of 72
pro vyhledávání: '"Setsuko Oikawa"'
Publikováno v:
Journal of Polymer Science Part A: Polymer Chemistry. 35:77-89
The acid-catalyzed degradation mechanism of chemical amplification resists based on end-capped poly(phthalaldehyde) has been elucidated by semi-empirical molecular orbital calculations. It is concluded that: (i) two different starting points exist in
Publikováno v:
Applied Surface Science. 107:116-121
Single Si adatom migration and the initial stage of epitaxial growth on (2 × 1) reconstructed Si(001) surfaces were investigated by an ab initio method using density functional theory. The obtained results are as follows: (a) the most stable binding
Publikováno v:
Applied Surface Science. 107:18-24
Publikováno v:
Physical Review B. 54:11331-11339
Publikováno v:
Surface Science. :844-848
An adatom migration process passing through the SA step was studied in detail in the case of carbon atom migration on diamond (001) surfaces using the method of quantum theoretical calculations. It was concluded on (001) surfaces of diamond structure
Autor:
Minoru Tsuda, Etsuo Hasegawa, Kaichiro Nakano, Akiko Tsujino, Yoshikazu Nakazono, Setsuko Oikawa, Norihito Ohmori, Masayuki Hata
Publikováno v:
Journal of Photopolymer Science and Technology. 8:611-614
Publikováno v:
International Journal of Biological Macromolecules. 17:227-235
Molecular dynamics (MD) simulations of methyl N,N′ -diacetyl-β- d -chitobioside (GIcNAcβ-(1 → 4)GIcNAcβ-OMe) have been performed both in vacuo and in aqueous solution with the explicit inclusion of the solvent water molecules. The β-(1 → 4)
Publikováno v:
Journal of Molecular Structure: THEOCHEM. 310:287-294
The decomposition mechanism of disilane, Si2H6, in the lowest triplet state has been investigated by ab initio molecular orbital calculations with 3–21G+ and 3–21G*+ basis sets. The vertical transition energy is calculated to be 6.85 eV from the
Publikováno v:
Applied Surface Science. :255-263
The mechanism of the surface migration of adatoms on photoirradiated diamond (001) surfaces was investigated by the method of quantum-chemical calculations. The results obtained clearly showed that the surface migration of an adatom is enhanced in th
Publikováno v:
Applied Surface Science. 75:21-26
One of the origins of the independent growth of a dimer row at the S B step on the reconstructed (001) surface was elucidated to be the diene structure of the S B step type I. The potential energy changes following the single adatom migration as well