| 1 |
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 |
| 2 |
Bond Energy Density Analysis Combined with Informatics Technique
Nakai H, Seino J, Nakamura K
Journal of Physical Chemistry A, 123(36), 7777, 2019 |
| 3 |
Relativistic density functional theory with picture-change corrected electron density based on infinite-order Douglas-Kroll-Hess method
Oyama T, Ikabata Y, Seino J, Nakai H
Chemical Physics Letters, 680, 37, 2017 |
| 4 |
Universal formulation of second-order generalized Moller-Plesset perturbation theory for a spin-dependent two-component relativistic many-electron Hamiltonian
Nakano M, Seino J, Nakai H
Chemical Physics Letters, 675, 137, 2017 |
| 5 |
Unveiling a New Aspect of Simple Arylboronic Esters: Long-Lived Room-Temperature Phosphorescence from Heavy-Atom-Free Molecules
Shoji Y, Ikabata Y, Wang Q, Nemoto D, Sakamoto A, Tanaka N, Seino J, Nakai H, Fukushima T
Journal of the American Chemical Society, 139(7), 2728, 2017 |
| 6 |
Assessment of self-consistent field convergence in spin-dependent relativistic calculations
Nakano M, Seino J, Nakai H
Chemical Physics Letters, 657, 65, 2016 |
| 7 |
Relativistic frozen core potential scheme with relaxation of core electrons
Nakajima Y, Seino J, Hayami M, Nakai H
Chemical Physics Letters, 663, 97, 2016 |
| 8 |
Frozen core potential scheme with a relativistic electronic Hamiltonian: Theoretical connection between the model potential and all-electron treatments
Seino J, Tarumi M, Nakai H
Chemical Physics Letters, 592, 341, 2014 |
| 9 |
Examination of accuracy of electron-electron Coulomb interactions in two-component relativistic methods
Seino J, Hada M
Chemical Physics Letters, 461(4-6), 327, 2008 |
| 10 |
Applicability of the lowest-order two-electron Breit-Pauli relativistic correction in many-electron heavy and super-heavy elements
Seino J, Hada M
Chemical Physics Letters, 442(1-3), 134, 2007 |
