Masahiro Ehara

13 papers Misc 1Journal 12

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	Deep reinforcement learning in chemistry: A review. J. Comput. Chem. Bhuvanesh Sridharan, Animesh Sinha, Jai Bardhan, Rohit Modee, Masahiro Ehara, U. Deva Priyakumar
2024	J	`jnl`	Theoretical study on the mechanism of alcohol photooxidation on Nb J. Comput. Chem. Weiwei Wang, Tsunehiro Tanaka, Masahiro Ehara
2019	J	`jnl`	Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies. J. Comput. Chem. Nozomi Takagi, Masayuki Nakagaki, Kazuya Ishimura, Ryoichi Fukuda, Masahiro Ehara, Shigeyoshi Sakaki
2019	J	`jnl`	Photophysical properties of fluorescent imaging biological probes of nucleic acids: SAC-CI and TD-DFT Study. J. Comput. Chem. Takafumi Shiraogawa, Gaëlle Candel, Ryoichi Fukuda, Ilaria Ciofini, Carlo Adamo, Akimitsu Okamoto, Masahiro Ehara
2019	J	`jnl`	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. Yao-Xiao Zhao, Meng-yang Li, Yiming Xiong, Shirin Rahmani, Kun Yuan, Rui-Sheng Zhao, Masahiro Ehara, Shigeru Nagase, Xiang Zhao
2018	J	`jnl`	Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems. J. Comput. Chem. Takafumi Shiraogawa, Masahiro Ehara, Sandro Jurinovich, Lorenzo Cupellini, Benedetta Mennucci
2017	J	`jnl`	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. Marika Savarese, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini
2016	J	`jnl`	Projected CAP/SAC-CI method with smooth Voronoi potential for calculating resonance states. J. Comput. Chem. Masahiro Ehara, Ryoichi Fukuda, Thomas Sommerfeld
2014	J	`jnl`	Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules. J. Comput. Chem. Ryoichi Fukuda, Masahiro Ehara
2013	J	`jnl`	Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculations. J. Comput. Chem. Masahiro Ehara, Ryoichi Fukuda, Carlo Adamo, Ilaria Ciofini
2013	J	`jnl`	New paint and a new engine. J. Comput. Chem. Charles L. Brooks III, Masahiro Ehara, Gernot Frenking, Peter R. Schreiner
2011	Misc	`conf`	Electronic excited states of macrocyclic compounds: direct SAC-CI study. ICCS Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji
2003	J	`jnl`	Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study. J. Comput. Chem. Abhijit K. Das, Jun-Ya Hasegawa, Tomoo Miyahara, Masahiro Ehara, Hiroshi Nakatsuji