| Theoretical analysis of interactions between potassium ions and organic electrolyte solvents: a comparison with lithium, sodium, and magnesium ions M Okoshi, Y Yamada, S Komaba, A Yamada, H Nakai Journal of The Electrochemical Society 164 (2), A54, 2016 | 333 | 2016 |
| Theoretical analysis on de-solvation of lithium, sodium, and magnesium cations to organic electrolyte solvents M Okoshi, Y Yamada, A Yamada, H Nakai Journal of the Electrochemical Society 160 (11), A2160, 2013 | 300 | 2013 |
| Unveiling a new aspect of simple arylboronic esters: long-lived room-temperature phosphorescence from heavy-atom-free molecules Y Shoji, Y Ikabata, Q Wang, D Nemoto, A Sakamoto, N Tanaka, J Seino, ... Journal of the American Chemical Society 139 (7), 2728-2733, 2017 | 270 | 2017 |
| Density functional method including weak interactions: Dispersion coefficients based on the local response approximation T Sato, H Nakai The Journal of chemical physics 131 (22), 2009 | 264 | 2009 |
| An extension of ab initio molecular orbital theory to nuclear motion M Tachikawa, K Mori, H Nakai, K Iguchi Chemical physics letters 290 (4-6), 437-442, 1998 | 258 | 1998 |
| Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method M Kobayashi, Y Imamura, H Nakai The Journal of chemical physics 127 (7), 2007 | 167 | 2007 |
| Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation: Ab initio NO+ MO/HF theory H Nakai International journal of quantum chemistry 86 (6), 511-517, 2002 | 164 | 2002 |
| Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations M Kobayashi, H Nakai The Journal of chemical physics 129 (4), 2008 | 157 | 2008 |
| Energy density analysis with Kohn–Sham orbitals H Nakai Chemical Physics Letters 363 (1-2), 73-79, 2002 | 155 | 2002 |
| Implementation of divide‐and‐conquer method including Hartree‐Fock exchange interaction T Akama, M Kobayashi, H Nakai Journal of Computational Chemistry 28 (12), 2003-2012, 2007 | 149 | 2007 |
| Divide-and-conquer-based linear-scaling approach for traditional and renormalized coupled cluster methods with single, double, and noniterative triple excitations M Kobayashi, H Nakai The Journal of chemical physics 131 (11), 2009 | 144 | 2009 |
| Confined water-mediated high proton conduction in hydrophobic channel of a synthetic nanotube K Otake, K Otsubo, T Komatsu, S Dekura, JM Taylor, R Ikeda, K Sugimoto, ... Nature communications 11 (1), 843, 2020 | 136 | 2020 |
| Many-body effects in nonadiabatic molecular theory for simultaneous determination of nuclear and electronic wave functions: Ab initio NOMO/MBPT and CC methods H Nakai, K Sodeyama The Journal of chemical physics 118 (3), 1119-1127, 2003 | 122 | 2003 |
| Nuclear orbital plus molecular orbital theory: Simultaneous determination of nuclear and electronic wave functions without Born–Oppenheimer approximation H Nakai International Journal of Quantum Chemistry 107 (14), 2849-2869, 2007 | 115 | 2007 |
| Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide‐and‐conquer, density‐functional tight‐binding, and massively parallel … H Nishizawa, Y Nishimura, M Kobayashi, S Irle, H Nakai Journal of computational chemistry 37 (21), 1983-1992, 2016 | 111 | 2016 |
| Local response dispersion method. II. Generalized multicenter interactions T Sato, H Nakai The Journal of chemical physics 133 (19), 2010 | 109 | 2010 |
| Molecular orbital study on the reaction process of dimethylamine borane as a reductant for electroless deposition T Homma, A Tamaki, H Nakai, T Osaka Journal of Electroanalytical Chemistry 559, 131-136, 2003 | 107 | 2003 |
| Sodium‐and Potassium‐Hydrate Melts Containing Asymmetric Imide Anions for High‐Voltage Aqueous Batteries Q Zheng, S Miura, K Miyazaki, S Ko, E Watanabe, M Okoshi, CP Chou, ... Angewandte Chemie 131 (40), 14340-14345, 2019 | 101 | 2019 |
| Dipped adcluster model study for molecular and dissociative chemisorptions of O2 on Ag surface H Nakatsuji, H Nakai The Journal of chemical physics 98 (3), 2423-2436, 1993 | 96 | 1993 |
| Theoretical analysis of carrier ion diffusion in superconcentrated electrolyte solutions for sodium-ion batteries M Okoshi, CP Chou, H Nakai The Journal of Physical Chemistry B 122 (9), 2600-2609, 2018 | 95 | 2018 |
Masato KobayashiFaculty of Science, Hokkaido University在 sci.hokudai.ac.jp 的电子邮件经过验证
