Masahiro Ehara

Publication Activity (10 Years)

Years Active: 2003-2024
Publications (10 Years): 8

Top Topics

Electronic Documents

Relational Reinforcement Learning

Top Venues

J. Comput. Chem.

Publications

Bhuvanesh Sridharan, Animesh Sinha, Jai Bardhan, Rohit Modee, Masahiro Ehara, U. Deva Priyakumar
Deep reinforcement learning in chemistry: A review. J. Comput. Chem. 45 (22, August) (2024)
Wei-Wei Wang, Tsunehiro Tanaka, Masahiro Ehara
surface. J. Comput. Chem. 45 (25, September) (2024)
Yao-Xiao Zhao, Meng-Yang Li, Yiming Xiong, Shirin Rahmani, Kun Yuan, Rui-Sheng Zhao, Masahiro Ehara, Shigeru Nagase, Xiang Zhao
Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc3X@C80 (X = C, N, and O). J. Comput. Chem. 40 (31) (2019)
Nozomi Takagi, Masayuki Nakagaki, Kazuya Ishimura, Ryoichi Fukuda, Masahiro Ehara, Shigeyoshi Sakaki
Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies. J. Comput. Chem. 40 (1) (2019)
Takafumi Shiraogawa, Gaëlle Candel, Ryoichi Fukuda, Ilaria Ciofini, Carlo Adamo, Akimitsu Okamoto, Masahiro Ehara
Photophysical properties of fluorescent imaging biological probes of nucleic acids: SAC-CI and TD-DFT Study. J. Comput. Chem. 40 (1) (2019)
Takafumi Shiraogawa, Masahiro Ehara, Sandro Jurinovich, Lorenzo Cupellini, Benedetta Mennucci
Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems. J. Comput. Chem. 39 (16) (2018)
Marika Savarese, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini
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. J. Comput. Chem. 38 (14) (2017)
Masahiro Ehara, Ryoichi Fukuda, Thomas Sommerfeld
Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance states. J. Comput. Chem. 37 (2) (2016)
Ryoichi Fukuda, Masahiro Ehara
Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules. J. Comput. Chem. 35 (30) (2014)
Charles L. Brooks III, Masahiro Ehara, Gernot Frenking, Peter R. Schreiner
New paint and a new engine. J. Comput. Chem. 34 (1) (2013)
Masahiro Ehara, Ryoichi Fukuda, Carlo Adamo, Ilaria Ciofini
Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculations. J. Comput. Chem. 34 (29) (2013)
Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji
Electronic excited states of macrocyclic compounds: direct SAC-CI study. ICCS (2011)
Abhijit K. Das, Jun-Ya Hasegawa, Tomoo Miyahara, Masahiro Ehara, Hiroshi Nakatsuji
Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study. J. Comput. Chem. 24 (12) (2003)