| 1 |
The important role of N2H formation energy for low-temperature ammonia synthesis in an electric field
Murakami K, Tanaka Y, Sakai R, Toko K, Ito K, Ishikawa A, Higo T, Yabe T, Ogo S, Ikeda M, Tsuneki H, Nakai H, Sekine Y
Catalysis Today, 351, 119, 2020 |
| 2 |
Data science-based modeling of the lysine fermentation process
Tokuyama K, Shimodaira Y, Terawaki T, Kusunose Y, Nakai H, Tsuji Y, Toya Y, Matsuda F, Shimizu H
Journal of Bioscience and Bioengineering, 130(4), 409, 2020 |
| 3 |
Hydroxide Ion Carrier for Proton Pumps in Bacteriorhodopsin: Primary Proton Transfer
Ono J, Imai M, Nishimura Y, Nakai H
Journal of Physical Chemistry B, 124(39), 8524, 2020 |
| 4 |
Finite-temperature-based linear-scaling divide-and-conquer self-consistent field method for static electron correlation systems
Yoshikawa T, Doi T, Nakai H
Chemical Physics Letters, 725, 18, 2019 |
| 5 |
Virtual Reaction Condition Optimization based on Machine Learning for a Small Number of Experiments in High-dimensional Continuous and Discrete Variables
Fujinami M, Seino J, Nukazawa T, Ishida S, Iwamoto T, Nakai H
Chemistry Letters, 48(8), 961, 2019 |
| 6 |
First-principle study of the oxidation mechanism of formaldehyde and hypophosphite for copper and nickel electroless deposition process
Onabuta Y, Kunimoto M, Nakai H, Homma T
Electrochimica Acta, 307, 536, 2019 |
| 7 |
Bond Energy Density Analysis Combined with Informatics Technique
Nakai H, Seino J, Nakamura K
Journal of Physical Chemistry A, 123(36), 7777, 2019 |
| 8 |
Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model
Tarumi M, Nakai H
Chemical Physics Letters, 700, 149, 2018 |
| 9 |
Fractional-occupation-number based divide-and-conquer coupled-cluster theory
Yoshikawa T, Nakai H
Chemical Physics Letters, 712, 184, 2018 |
| 10 |
Theoretical investigation on structural effects of Pt-Mn catalyst on activity and selectivity for methylcyclohexane dehydrogenation
Manabe S, Yabe T, Nakano A, Nagatake S, Higo T, Ogo S, Nakai H, Sekine Y
Chemical Physics Letters, 711, 73, 2018 |
