Relativistic effects and the halogen dependencies in the 13C chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n=0-4). - Shuhei Fukawa; Masahiko Hada; Ryoichi Fukuda; Shinji Tanaka; Hiroshi Nakatsuji (J. Comput. Chem., 2001)

Quasirelativistic study of 125Te nuclear magnetic shielding constants and chemical shifts. - Masahiko Hada; Jian Wan; Ryoichi Fukuda; Hiroshi Nakatsuji (J. Comput. Chem., 2001)

Electronic excited states of macrocyclic compounds: direct SAC-CI study. - Ryoichi Fukuda; Masahiro Ehara; Hiroshi Nakatsuji (ICCS, 2011)

Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculations. - Masahiro Ehara; Ryoichi Fukuda; Carlo Adamo; Ilaria Ciofini (J. Comput. Chem., 2013)

Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules. - Ryoichi Fukuda; Masahiro Ehara (J. Comput. Chem., 2014)

Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance states. - Masahiro Ehara; Ryoichi Fukuda; Thomas Sommerfeld (J. Comput. Chem., 2016)

Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study. - Marika Savarese; Umberto Raucci; Ryoichi Fukuda; Carlo Adamo; Masahiro Ehara; Nadia Rega; Ilaria Ciofini (J. Comput. Chem., 2017)

Photophysical properties of fluorescent imaging biological probes of nucleic acids: SAC-CI and TD-DFT Study. - Takafumi Shiraogawa; Gaëlle Candel; Ryoichi Fukuda; Ilaria Ciofini; Carlo Adamo; Akimitsu Okamoto; Masahiro Ehara (J. Comput. Chem., 2019)

Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies. - Nozomi Takagi; Masayuki Nakagaki; Kazuya Ishimura; Ryoichi Fukuda; Masahiro Ehara; Shigeyoshi Sakaki (J. Comput. Chem., 2019)

An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine. - Kaho Nakatani; Masahiro Higashi; Ryoichi Fukuda; Hirofumi Sato (J. Comput. Chem., 2021)