Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study. - Abhijit K. Das; Jun-Ya Hasegawa; Tomoo Miyahara; Masahiro Ehara; Hiroshi Nakatsuji (J. Comput. Chem., 2003)

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

New paint and a new engine. - Charles L. Brooks III; Masahiro Ehara; Gernot Frenking; Peter R. Schreiner (J. Comput. Chem., 2013)

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)

Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems. - Takafumi Shiraogawa; Masahiro Ehara; Sandro Jurinovich; Lorenzo Cupellini; Benedetta Mennucci (J. Comput. Chem., 2018)

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)

Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O). - Yao-Xiao Zhao; Meng-Yang Li; Yiming Xiong; Shirin Rahmani; Kun Yuan; Rui-Sheng Zhao; Masahiro Ehara; Shigeru Nagase; Xiang Zhao 001 (J. Comput. Chem., 2019)

Deep reinforcement learning in chemistry: A review. - Bhuvanesh Sridharan; Animesh Sinha; Jai Bardhan; Rohit Modee; Masahiro Ehara; U. Deva Priyakumar (J. Comput. Chem., 2024)

Theoretical study on the mechanism of alcohol photooxidation on Nb2O5 surface. - Weiwei Wang; Tsunehiro Tanaka; Masahiro Ehara (J. Comput. Chem., 2024)