Ehara M - Search Results

1

Pivotal Role of Nonmetal Atoms in the Stabilities, Geometries, Electronic Structures, and Isoelectronic Chemistry of Sc₃ X@C₈₀ (X = C, N, and O).

Zhao YX, Li MY, Xiong YM, Rahmani S, Yuan K, Zhao RS, Ehara M, Nagase S, Zhao X. Zhao YX, et al. Among authors: ehara m. J Comput Chem. 2019 Dec 5;40(31):2730-2738. doi: 10.1002/jcc.26049. Epub 2019 Aug 21. J Comput Chem. 2019. PMID: 31433074

2

(2 + 2) Cycloaddition of Benzyne to Endohedral Metallofullerenes M3N@C80 (M = Sc, Y): A Rotating-Intermediate Mechanism.

Yang T, Nagase S, Akasaka T, Poblet JM, Houk KN, Ehara M, Zhao X. Yang T, et al. Among authors: ehara m. J Am Chem Soc. 2015 Jun 3;137(21):6820-8. doi: 10.1021/jacs.5b01444. Epub 2015 May 22. J Am Chem Soc. 2015. PMID: 25971783

3

Regioselectivity of Sc2C2@C3v(8)-C82: Role of the Sumanene-Type Hexagon in Diels-Alder Reaction.

Zhao P, Zhao X, Ehara M. Zhao P, et al. Among authors: ehara m. J Org Chem. 2016 Sep 16;81(18):8169-74. doi: 10.1021/acs.joc.6b00947. Epub 2016 Aug 31. J Org Chem. 2016. PMID: 27538115

4

Theoretical Insight into Sc₂C₇₆: Carbide Clusterfullerene Sc₂C₂@C₇₄ versus Dimetallofullerene Sc₂@C₇₆.

Zhao P, Zhao X, Ehara M. Zhao P, et al. Among authors: ehara m. Inorg Chem. 2017 Sep 5;56(17):10195-10203. doi: 10.1021/acs.inorgchem.7b00760. Epub 2017 Aug 21. Inorg Chem. 2017. PMID: 28825804

5

Quantum Chemical Insight into La₂C₉₆: Metal Carbide Fullerene La₂C₂@C₉₄ versus Dimetallofullerene La₂@C₉₆.

Zhao R, Yuan K, Zhao S, Zhao X, Ehara M. Zhao R, et al. Among authors: ehara m. Inorg Chem. 2017 Oct 2;56(19):11883-11890. doi: 10.1021/acs.inorgchem.7b01833. Epub 2017 Sep 21. Inorg Chem. 2017. PMID: 28933834

6

Theoretical Insights into Monometallofullerene Th@C₇₆: Strong Covalent Interaction between Thorium and the Carbon Cage.

Zhao P, Zhao X, Ehara M. Zhao P, et al. Among authors: ehara m. Inorg Chem. 2018 Mar 19;57(6):2961-2964. doi: 10.1021/acs.inorgchem.7b03114. Epub 2018 Feb 26. Inorg Chem. 2018. PMID: 29481070

7

Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies.

Takagi N, Nakagaki M, Ishimura K, Fukuda R, Ehara M, Sakaki S. Takagi N, et al. Among authors: ehara m. J Comput Chem. 2019 Jan 5;40(1):181-190. doi: 10.1002/jcc.25568. Epub 2018 Oct 31. J Comput Chem. 2019. PMID: 30378149

8

Control of near infrared photoluminescence properties of single-walled carbon nanotubes by functionalization with dendrons.

Maeda Y , Konno Y , Yamada M , Zhao P , Zhao X , Ehara M , Nagase S . Maeda Y , et al. Among authors: ehara m. Nanoscale. 2018 Dec 13;10(48):23012-23017. doi: 10.1039/c8nr07983h. Nanoscale. 2018. PMID: 30500038

9

In-Depth Theoretical Probe into Novel Mixed-Metal Uranium-Based Endohedral Clusterfullerenes Sc₂UX@I_h(31924)-C₈₀ (X = C, N).

Zhao YX, Yuan K, Li MY, Ehara M, Zhao X. Zhao YX, et al. Among authors: ehara m. Inorg Chem. 2019 Aug 19;58(16):10769-10777. doi: 10.1021/acs.inorgchem.9b00996. Epub 2019 Aug 6. Inorg Chem. 2019. PMID: 31385498

10

Crystallographic characterization of Er₂C₂@C₂(43)-C₉₀, Er₂C₂@C₂(40)-C₉₀, Er₂C₂@C₂(44)-C₉₀, and Er₂C₂@C₁(21)-C₉₀: the role of cage-shape on cluster configuration.

Hu S, Shen W, Zhao P, Xu T, Slanina Z, Ehara M, Zhao X, Xie Y, Akasaka T, Lu X. Hu S, et al. Among authors: ehara m. Nanoscale. 2019 Oct 7;11(37):17319-17326. doi: 10.1039/c9nr06466d. Epub 2019 Sep 12. Nanoscale. 2019. PMID: 31513222

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