Masahiro Ehara

Affiliations: 
Institute for Molecular Science 
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"Masahiro Ehara"
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Davis JU, Phung QM, Yanai T, et al. (2021) Lifetimes of Be and Mg Cluster Dianions. The Journal of Physical Chemistry. A. 125: 3579-3588
Nag P, Čurík R, Tarana M, et al. (2020) Resonant states in cyanogen NCCN. Physical Chemistry Chemical Physics : Pccp
Zhao Y, Yuan K, Han YB, et al. (2020) Theoretical Insight into Thermodynamically Optimal U@C: Three-Electron Transfer Rather Than Four-Electron Transfer. Inorganic Chemistry
Phung QM, Komori Y, Yanai T, et al. (2020) Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot Applications Journal of Chemical Theory and Computation. 16: 2606-2616
Sartyoungkul S, Ehara M, Sakurai H. (2020) Time-Dependent Density Functional Theory Investigation of Excited State Intramolecular Proton Transfer in Tris(2-hydroxyphenyl)triazasumanene. Journal of Physical Chemistry A. 124: 1227-1234
Li M, Zhao Y, Han Y, et al. (2020) Covalent interactions depend on the distances between metals and fullerenes for thermodynamically stable M@C78 (M = La, Ce, and Sm) Inorganic Chemistry Frontiers. 7: 2538-2547
Sadhukhan T, Junkaew A, Zhao P, et al. (2020) Importance of the Pd and Surrounding Sites in Hydrosilylation of Internal Alkynes by Palladium–Gold Alloy Catalyst Organometallics. 39: 528-537
Promkatkaew M, Suramitr S, Karpkird T, et al. (2020) DFT/TD-DFT investigation on the photoinduced electron transfer of diruthenium and viologen complexes Journal of Luminescence. 222: 117121
Zhao YX, Li MY, Xiong YM, et al. (2019) Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc X@C (X = C, N, and O). Journal of Computational Chemistry
Zhao YX, Yuan K, Li MY, et al. (2019) In-Depth Theoretical Probe into Novel Mixed-Metal Uranium-Based Endohedral Clusterfullerenes ScUX@(31924)-C (X = C, N). Inorganic Chemistry
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