Zobrazeno 1 - 10
of 220
pro vyhledávání: '"Yuriko Aoki"'
Publikováno v:
Molecules, Vol 29, Iss 16, p 3789 (2024)
DNA glycosidic bond cleavage may induce cancer under the ultraviolet (UV) effect. Yet, the mechanism of glycosidic bond cleavage remains unclear and requires more detailed clarification. Herein, quantum chemical studies on its photoinduced mechanism
Externí odkaz:
https://doaj.org/article/7ff946aefb0e4280a2c436e858fd4484
Autor:
Jiangyang Liu, Kazuki Nagashima, Hiroki Yamashita, Wataru Mizukami, Jun Uzuhashi, Takuro Hosomi, Masaki Kanai, Xixi Zhao, Yoshinori Miura, Guozhu Zhang, Tsunaki Takahashi, Masaru Suzuki, Daiki Sakai, Benjarong Samransuksamer, Yong He, Tadakatsu Ohkubo, Takao Yasui, Yuriko Aoki, Johnny C. Ho, Yoshinobu Baba, Takeshi Yanagida
Publikováno v:
Communications Materials, Vol 1, Iss 1, Pp 1-10 (2020)
Controlling the growth processes of nanowires is vital for tailoring their properties. Here, the presence of tungstate ions on specific surface planes of zinc oxide nanowires causes nanowire growth and chemical doping along specific crystal planes.
Externí odkaz:
https://doaj.org/article/9bebc243b80c48778ebe69b3fcc4d8f8
Publikováno v:
Physical Chemistry Chemical Physics. 24:14172-14176
The high CO2 separation performance of 2-(2-aminoethylamino)ethanol can be theoretically explained by the high sorption ability of its primary amine and the high desorption ability of its secondary amine.
Publikováno v:
The Journal of chemical physics. 156(20)
The ab initio elongation (ELG) method based on a polymerization concept is a feasible way to perform linear-scaling electronic structure calculations for huge aperiodic molecules while maintaining computational accuracy. In the method, the electronic
Publikováno v:
ACS Central Science, Vol 4, Iss 6, Pp 664-665 (2018)
Externí odkaz:
https://doaj.org/article/508e0842ec994819be29c2daec3c848d
Publikováno v:
International Journal of Heat and Mass Transfer. 201:123564
Autor:
Johnny C. Ho, Masaki Kanai, Takeharu Sugiyama, Wataru Mizukami, Takeshi Yanagida, Tsunaki Takahashi, Yoshinobu Baba, Takao Yasui, Guozhu Zhang, Takuro Hosomi, Yuriko Aoki, Jiangyang Liu, Kazuki Nagashima
Publikováno v:
Journal of Materials Chemistry A. 9:5815-5824
Electrical molecular nanosensors require two conflicting surface characteristics, which are catalytic activity for molecular selectivity and thermal stability for long-term data collection. Here, we show that a simple surface treatment using strong a
An Efficient Local Molecular Dynamics Polymerization Simulation Combined with an Ab Initio MO Method
Publikováno v:
Materials, Vol 6, Iss 3, Pp 870-885 (2013)
A new local ab initio molecular dynamics method, namely elongation molecular dynamics (ELG-MD) is proposed for highly efficient simulations of aperiodic polymer systems. ELG-MD combines the elongation method (ELG) with the Gear predictor corrector (G
Externí odkaz:
https://doaj.org/article/c715bb149d5e4c3caf547eace69dcb98
Autor:
Hiroshi Tochihara, Kazuma Yagyu, Takayuki Suzuki, Yuriko Aoki, Wataru Mizukami, Tomoya Shiota
Publikováno v:
The Journal of Physical Chemistry C. 124:24704-24712
The molecular hopping of a lone 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) molecule adsorbed on a Ge(001) surface is studied by density functional theory calculations and the climbing-ima...
Autor:
Hiroki Yamashita, Xixi Zhao, Yoshinobu Baba, Kazuki Nagashima, Jun Uzuhashi, Jiangyang Liu, Yoshinori Miura, Masaki Kanai, Masaru Suzuki, Johnny C. Ho, Takeshi Yanagida, Daiki Sakai, Benjarong Samransuksamer, Tsunaki Takahashi, Tadakatsu Ohkubo, Takuro Hosomi, Wataru Mizukami, Guozhu Zhang, Takao Yasui, Yong He, Yuriko Aoki
Publikováno v:
Communications Materials, Vol 1, Iss 1, Pp 1-10 (2020)
Tailoring the elemental doping of inorganic nanowires remains an important challenge due to complex dopant incorporation pathways. Here we report that the face-selectivity of tungstate ions controls growth direction and dopant incorporation of hydrot