| 1 |
Primary and Secondary Loss of CO and NO Ligands in the Ultraviolet Photodissociation of the Heteroleptic Co(CO)(3)NO Complex
Nakata H, Nagamori K, Haze M, Yamasaki K, Kohguchi H
Journal of Physical Chemistry A, 124(51), 10694, 2020 |
| 2 |
Computation of Molecular Electron Affinities Using an Ensemble Density Functional Theory Method
Filatov M, Lee S, Nakata H, Choi CH
Journal of Physical Chemistry A, 124(38), 7795, 2020 |
| 3 |
Thermal expansion mechanism of cordierite with titanium or germanium doping based on ab initio molecular dynamics simulation
Bai SD, Nakata H
Journal of the American Ceramic Society, 103(1), 531, 2020 |
| 4 |
Solar-Driven Photoelectrochemical Water Oxidation over an n-Type Lead Titanium Oxyfluoride Anode
Hirayama N, Nakata H, Wakayama H, Nishioka S, Kanazawa T, Kamata R, Ebato Y, Kato K, Kumagai H, Yamakata A, Oka K, Maeda K
Journal of the American Chemical Society, 141(43), 17158, 2019 |
| 5 |
Detection of direct NO ligand loss in the ultraviolet photodissociation of Co(CO)(3)NO
Nakata H, Nagamori K, Yamasaki K, Kohguchi H
Chemical Physics Letters, 707, 150, 2018 |
| 6 |
Preferential adsorption and surface precipitation of lead(II) ions onto anatase in artificially contaminated Dixie clay
Suzuki T, Okita M, Kakoyama S, Niinae M, Nakata H, Fujii H, Tasaka Y
Journal of Hazardous Materials, 338, 482, 2017 |
| 7 |
Radical damage in lipids investigated with the fragment molecular orbital method
Green MC, Nakata H, Fedorov DG, Slipchenko LV
Chemical Physics Letters, 651, 56, 2016 |
| 8 |
Efficient Geometry Optimization of Large Molecular Systems in Solution Using the Fragment Molecular Orbital Method
Nakata H, Fedorov DG
Journal of Physical Chemistry A, 120(49), 9794, 2016 |
| 9 |
Analysis of various types of single-polypeptide-chain (sc) heterodimeric A(2A)R/D2R complexes and their allosteric receptor receptor interactions
Kamiya T, Yoshioka K, Nakata H
Biochemical and Biophysical Research Communications, 456(2), 573, 2015 |
| 10 |
Extension of the fragment molecular orbital method to treat large open-shell systems in solution
Nakata H, Fedorov DG, Kitaura K, Nakamura S
Chemical Physics Letters, 635, 86, 2015 |
