| 1 |
Multiscale Simulations for Lithium-Ion Batteries: SEI Film Growth and Capacity Fading
Shinagawa C, Ushiyama H, Yamashita K
Journal of the Electrochemical Society, 164(13), A3018, 2017 |
| 2 |
Electron wavepacket approaches to non-adiabatic transition processes in the internal rotational motion of H2CNH2+ - Charge oscillation due to electronic coherence
Kunisada T, Ushiyama H, Yamashita K
Chemical Physics Letters, 635, 345, 2015 |
| 3 |
Ab Initio Study of Internal Conversion through S-1/S-2 and S-2/S-3 Conical Intersections of 6-Acetyl-2-(N,N-dimethylamino)naphthalene
Kunisada T, Ushiyama H, Yamashita K
Chemistry Letters, 44(12), 1753, 2015 |
| 4 |
First-principles study of fast Na diffusion in Na3P
Yu XF, Giorgi G, Ushiyama H, Yamashita K
Chemical Physics Letters, 612, 129, 2014 |
| 5 |
Comparative Study of Sodium and Lithium Intercalation and Diffusion Mechanism in Black Phosphorus from First-principles Simulation
Yu XF, Ushiyama H, Yamashita K
Chemistry Letters, 43(12), 1940, 2014 |
| 6 |
Theoretical studies on the stabilities and reactivities of Ta3N5 (100) surfaces
Watanabe E, Ushiyama H, Yamashita K
Chemical Physics Letters, 561, 57, 2013 |
| 7 |
Theoretical Studies of Solvation Effects on 2-(2-Hydroxyphenyl)benzimidazole
Kuroki A, Ushiyama H, Yamashita K
Chemistry Letters, 41(7), 672, 2012 |
| 8 |
Theoretical Studies of the Mechanism of Proton Transfer at the Surface of Zirconium Phosphate
Ogawa T, Ushiyama H, Yamashita K, Lee JM, Yamaguchi T
Chemistry Letters, 39(7), 736, 2010 |
| 9 |
Hydrogen-Bonding Dynamics in Aqueous Solutions of Amides and Acids: Monomer, Dimer, Trimer, and Polymer
Shirota H, Ushiyama H
Journal of Physical Chemistry B, 112(43), 13542, 2008 |
| 10 |
Very fast tunneling in the early stage of reaction dynamics
Ushiyama H, Takatsuka K
Journal of Physical Chemistry A, 109(51), 11807, 2005 |
