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
Ayumi Ohta   Osamu Kobayashi   Sebastian O. Danielache   Shinkoh Nanbu   
CHEMICAL PHYSICS 459 45-53 2015年9月 [査読有り]
The photoisomerization process between 1,3-cyclohexadiene (CHD) and 1,3,5-cis-hexatriene (HT) has been studied by nonadiabatic ab initio molecular dynamics based on trajectory surface-hopping approach with a full-dimensional reaction model. The qu...
JOURNAL OF CHEMICAL PHYSICS 142(20) 2015年5月 [査読有り]
The advantage of the real-time (RT) propagation method is a direct solution of the time-dependent Schrdinger equation which describes frequency properties as well as all dynamics of a molecular system composed of electrons and nuclei in quantum ph...
Photodissociation dynamics of sulfuric acid after excitation to the first and second excited states (S-1 and S-2) were studied by an on-the-fly ab initio molecular dynamics simulations based on the Zhu-Nakamura version of the trajectory surface ho...
Zirconium complexes of some [5]cumulene derivatives were studied for their variable coordination modes and haptotropic shifts. Some [5]cumulene compounds reacted with zirconocene(II) species to afford 1-zirconacyclopent-3-yne complexes that have f...
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]