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Tomoko Yokaichiya
Tomoko Yokaichiya
Fritz Haber Institute of the Max Planck Society
在 fhi.mpg.de 的电子邮件经过验证
标题
引用次数
引用次数
年份
Quantum-mechanical structure optimization of protein crystals and analysis of interactions in periodic systems
T Nakamura, T Yokaichiya, DG Fedorov
The Journal of Physical Chemistry Letters 12 (36), 8757-8762, 2021
132021
Analysis of guest adsorption on crystal surfaces based on the fragment molecular orbital method
T Nakamura, T Yokaichiya, DG Fedorov
The Journal of Physical Chemistry A 126 (6), 957-969, 2022
62022
On-the-fly kinetic Monte Carlo simulations with neural network potentials for surface diffusion and reaction
T Yokaichiya, T Ikeda, K Muraoka, A Nakayama
The Journal of Chemical Physics 160 (20), 2024
22024
Catalytic ammonia synthesis on HY-zeolite-supported angstrom-size molybdenum cluster
S Kamiguchi, K Asakura, T Shibayama, T Yokaichiya, T Ikeda, ...
Chemical Science 15 (8), 2914-2922, 2024
12024
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