143 results on '"Ushiyama, Hiroshi"'
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2. Correction to “Viscoelasticity of Low-Molecular-Weight Polyelectrolytes”
3. Viscoelasticity of Low-Molecular-Weight Polyelectrolytes
4. Theoretical studies on the stabilities and reactivities of Ta3N5 (1 0 0) surfaces
5. Neat and Aqueous Polyelectrolytes under a Steady-Shear Flow
6. Isotope Effect in the Liquid Properties of Water Confined in 100 nm Nanofluidic Channels
7. Investigation on specific adsorption of hydrogen on lithium-doped mesoporous silica
8. Very fast tunneling in the early stages of reaction dynamics
9. Li and Na Interaction with Ti2C-MXene: A First-Principles Calculation
10. A Theoretical study on the charge and discharge states of Na-ion battery cathode material, Na1+x FePO4 F
11. Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: An ab initio study of time-resolved photoelectron spectra.
12. Time-resolved photoelectron spectroscopy of proton transfer in the ground state of chloromalonaldehyde: Wave-packet dynamics on effective potential surfaces of reduced dimensionality.
13. Extended quantization condition for constructive and destructive interferences and trajectories dominating molecular vibrational eigenstates.
14. Time-dependent probability of quantum tunneling in terms of the quasisemiclassical method.
15. Tunneling paths in multi-dimensional semiclassical dynamics
16. Molecular mechanics with QEq-CS (charge equilibration method generalized for charge separation system)
17. Charge Storage Mechanism of RuO2/Water Interfaces
18. Influence of La/W ratio on electrical conductivity of lanthanum tungstate with high La/W ratio
19. First-Principles Study of the Band Diagrams and Schottky-Type Barrier Heights of Aqueous Ta3N5 Interfaces
20. Multiscale Simulations for Lithium-Ion Batteries: SEI Film Growth and Capacity Fading
21. Theoretical study of the mechanism of electron transfer at photosynthetic reaction centers...
22. Quasisemiclassical trajectory approach to tunneling chemicals reactions.
23. A Theoretical study on the charge and discharge states of Na‐ion battery cathode material, Na1+xFePO4F.
24. Semiclassical study on multidimensional effects in tunneling chemical reactions: Tunneling paths...
25. Theoretical studies on ammonia borane dehydrogenation catalyzed by iron pincer complexes
26. Proton-Transfer Dynamics in Protonated Benzene
27. A new implementation ofab initioehrenfest dynamics using electronic configuration basis: Exact formulation with molecular orbital connection and effective propagation scheme with locally quasi-diabatic representation
28. Atomic-Scale Analysis of the RuO2/Water Interface under Electrochemical Conditions
29. Black Phosphorus as a High-Capacity, High-Capability Negative Electrode for Sodium-Ion Batteries: Investigation of the Electrode/Electrolyte Interface
30. Ab Initio Study of Internal Conversion through S1/S2 and S2/S3 Conical Intersections of 6-Acetyl-2-(N,N-dimethylamino)naphthalene
31. Electron wavepacket approaches to non-adiabatic transition processes in the internal rotational motion of H2CNH2+ – Charge oscillation due to electronic coherence
32. Correction: Theoretical studies on the mechanism of oxygen reduction reaction on clean and O-substituted Ta3N5(100) surfaces
33. Theoretical studies on the mechanism of oxygen reduction reaction on clean and O-substituted Ta3N5(100) surfaces
34. Theoretical studies on membranes and non-platinum catalysts for polymer electrolyte fuel cells
35. Comparative Study of Sodium and Lithium Intercalation and Diffusion Mechanism in Black Phosphorus from First-principles Simulation
36. First-principles study of fast Na diffusion in Na3P
37. The proton conduction mechanism in a material consisting of packed acids
38. Carbonate-Promoted Catalytic Activity of Potassium Cations for Soot Combustion by Gaseous Oxygen
39. A new implementation of ab initio ehrenfest dynamics using electronic configuration basis: Exact formulation with molecular orbital connection and effective propagation scheme with locally quasi-diabatic representation.
40. Theory for Multidimensional Tunneling and its Application to Chemical Reactions
41. トンネル空間におけるカオス(1)量子力学とカオスのボーダーにおける基礎的問題,京大基研短期研究会 量子力学とカオス-基礎的問題からナノサイエンスまで-,研究会報告)
42. Theoretical Studies of Solvation Effects on 2-(2-Hydroxyphenyl)benzimidazole
43. Alkali Carbonate Stabilized on Aluminosilicate via Solid Ion Exchange as a Catalyst for Diesel Soot Combustion
44. Theoretical Studies on Proton Transfer among a High Density of Acid Groups: Surface of Zirconium Phosphate with Adsorbed Water Molecules
45. Redox-responsive molecular helices with highly condensed π-clouds
46. Theoretical Studies of the Mechanism of Proton Transfer at the Surface of Zirconium Phosphate
47. Theoretical and Experimental Studies on Reaction Mechanism for Aerobic Alcohol Oxidation by Supported Ruthenium Hydroxide Catalysts
48. Hydrogen-Bonding Dynamics in Aqueous Solutions of Amides and Acids: Monomer, Dimer, Trimer, and Polymer
49. Real-time observation of intramolecular proton transfer in the electronic ground state of chloromalonaldehyde: Anab initiostudy of time-resolved photoelectron spectra
50. Mechanisms of the Elementary Processes of Electron Wavepacket Dynamics Coupled with Proton Transfer and Hydrogen-Atom Migration in H2O+H3O+
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