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
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY 23(23) 2998-3007 2017年6月 [査読有り]
The reactions of azide ions coordinated to ruthenium(II) centers bearing two 2,2-bipyridine (bpy) ligands, that is, [Ru-II(N-3)(2)(bpy)(2)] (1), [Ru-II(N-3)(NH=CHR1)(bpy)(2)](+) (2; R-1 = CH3, C2H5), and [Ru-II(N-3)(NCCH3)(bpy)(2)](+) (3), with ha...
Karolis Sarka   Sebastian O. Danielache   Alexey Kondorskiy   Shinkoh Nanbu   
CHEMICAL PHYSICS 488 36-42 2017年5月 [査読有り]
The electronic structures of triplet S-2 ground and excited states are studied by ab initio molecular orbital and configuration interaction calculation. Potential energy curves correlated with S(P-3) + S(P-3) and S(P-3) + S(D-1) at the dissociatio...
Ayumi Ohta   Osamu Kobayashi   Sebastian O. Danielache   Shinkoh Nanbu   
CHEMICAL PHYSICS 485 45-59 2017年3月 [査読有り]
The ultra-fast photoisomerization reactions between 1,3-cyclohexadiene (CHD) and 1,3,5-cis-hexatriene (HT) in both hexane and ethanol solvents were revealed by nonadiabatic ab initio molecular dynamics (AI-MD) with a particle-mesh Ewald summation ...
JOURNAL OF ORGANIC CHEMISTRY 82(5) 2450-2461 2017年3月 [査読有り]
Various novel acridinium ester derivatives having phenyl and biphenyl moieties were synthesized, and their optimal chemiluminescence conditions were investigated. Several strongly chemiluminescent acridinium esters under neutral conditions were fo...
Dinuclear ruthenium complexes in a mixed valence state of Ru-III-Ru-IV, having a doubly oxido-bridged and acetato(-) or nitrato-capped framework, [{Ru-III,Ru-IV ebpma)}(2)(mu-O)(2),(mu-L)](PF6)(2) [ebpma = ethylbis (2-pyridylmethyl) amine; L = CH3...
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]