| 1 |
Unveiling Controlling Factors of the S-0/S-1 Minimum Energy Conical Intersection: A Theoretical Study
Nakai H, Inamori M, Ikabata Y, Wang Q
Journal of Physical Chemistry A, 122(45), 8905, 2018 |
| 2 |
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 |
| 3 |
Decomposition of Effective Exchange Integrals of Radical Dimers Using Bond Energy Density Analysis
Ikabata Y, Nakai H
Chemistry Letters, 46(6), 879, 2017 |
| 4 |
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 |
| 5 |
Assessment of local response dispersion method for open-shell systems
Ikabata Y, Nakai H
Chemical Physics Letters, 556, 386, 2013 |
| 6 |
Superphenalenyl: Theoretical Design of a pi-Conjugated Planar Hydrocarbon Radical
Ikabata Y, Akiba K, Nakai H
Chemistry Letters, 42(11), 1386, 2013 |
| 7 |
Development of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory: Incorporation of electron-electron correlation
Nishizawa H, Imamura Y, Ikabata Y, Nakai H
Chemical Physics Letters, 533, 100, 2012 |
| 8 |
Interpretation of Intermolecular Geometric Isotope Effect in Hydrogen Bonds: Nuclear Orbital plus Molecular Orbital Study
Ikabata Y, Imamura Y, Nakai H
Journal of Physical Chemistry A, 115(8), 1433, 2011 |
