日本化学会, BCSJ(Bulletin of the Chemical Society Japan:日本化学会欧文誌)賞,Theoretical Molecular Dynamics Simulation of the DIF-1 Receptor ActivationJiang Tianlong Tamao Saito Shinkoh Nanbu
2017年10月
the Royal Society of Chemistry, Prizes for posters at QSCP-XXII was sponsored by Physical Chemistry Chemical Physics (PCCP), a journal published by the Royal Society of Chemistry.,ChinaTianlong JIANG Kenta MORIWAKI Osamu KOBAYASHI S. O. DANIELACHE S. NANBU
Sebastian O. Danielache   Shohei Hattori   Matthew S. Johnson   Yuichiro Ueno   Shinkoh Nanbu   Naohiro Yoshida   
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES 117 2012年12月 [査読有り]
We report measurements of the ultraviolet absorption cross-sections of (SO2)-S-32, (SO2)-S-33, (SO2)-S-34 and (SO2)-S-36 recorded from 250 to 320 nm at 293 K with a resolution of 8 cm(-1). This is the first reported measurement of the (SO2)-S-36 c...
Journal of Physical Chemistry B 116(28) 8009-8023 2012年7月 [査読有り]
The photoinduced cis-trans isomerization dynamics of rhodopsin and isorhodopsin are studied using a newly developed hybrid QM/MM trajectory surface hopping MD scheme based on the Zhu-Nakamura theory for nonadiabatic transitions. Rhodopsin and isor...
JOURNAL OF PHYSICAL CHEMISTRY B 116(28) 8009-8023 2012年7月 [査読有り]
The photoinduced cis-trans isomerization dynamics of rhodopsin and isorhodopsin are studied using a newly developed hybrid QM/MM trajectory surface hopping MD scheme based on the Zhu-Nakamura theory for nonadiabatic transitions. Rhodopsin and isor...
Hong Zhang   Qiao Sun   Zhen Li   Shinkoh Nanbu   Sean S. Smith   
COMPUTATIONAL AND THEORETICAL CHEMISTRY 990 185-193 2012年6月 [査読有り]
In this paper we perform high level complete active space self-consistent field (CASSCF) and multi-reference configuration interaction (MRCI) calculations to generate three-dimensional potential energy surfaces for the proton chain transfer in the...
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY 36(2) 229-285 2017年 [査読有り][招待有り]
It is now confirmed that the Zhu-Nakamura (ZN) theory of nonadiabatic transition is useful to investigate various nonadiabatic chemical dynamics. The theory, being one-dimensional, presents a whole set of analytical formulas that enables us to tre...
A variety of chemical phenomena are governed by non-adiabatic transitions at conical intersections of potential energy surfaces, if not directly, but indirectly in the midst of the processes. In other words, the non-adiabatic transition makes one ...
Koga, N   Matsushita, T   Hashimoto, K   Hada, M   Hosoya, H   Matsuzawa, H   Nagashima, U   Nanbu S   Takano, K   Yamabe, S   
J. Mol. Struct. (THEOCHEM) 720-721 1-666 2005年 [招待有り]