Zhao Y - Search Results

1

Theoretical Investigations of Lu₂C₈₄: Unexpected Impact of Metal Electronic Configuration toward the Metal-Metal σ-Bond in Fullerene.

Zheng H, Dang H, Zhao Y, Gu YX, Li M, Li QZ, Zhao X. Zheng H, et al. Among authors: zhao x, zhao y. Inorg Chem. 2020 Jul 20;59(14):10113-10122. doi: 10.1021/acs.inorgchem.0c01241. Epub 2020 Jul 1. Inorg Chem. 2020. PMID: 32608976

2

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. Inorg Chem. 2019 Aug 19;58(16):10769-10777. doi: 10.1021/acs.inorgchem.9b00996. Epub 2019 Aug 6. Inorg Chem. 2019. PMID: 31385498

3

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. 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

4

New Insight into U@C₈₀: Missing U@D₃(31921)-C₈₀ and Nuanced Enantiomers of U@C₁(28324)-C₈₀.

Zhao YX, Li MY, Zhao P, Ehara M, Zhao X. Zhao YX, et al. Inorg Chem. 2019 Oct 21;58(20):14159-14166. doi: 10.1021/acs.inorgchem.9b02196. Epub 2019 Oct 9. Inorg Chem. 2019. PMID: 31596576

5

Potential molecular semiconductor devices: cyclo-C_n (n = 10 and 14) with higher stabilities and aromaticities than acknowledged cyclo-C₁₈.

Li M, Gao Z, Han Y, Zhao Y, Yuan K, Nagase S, Ehara M, Zhao X. Li M, et al. Among authors: zhao x, zhao y. Phys Chem Chem Phys. 2020 Feb 26;22(8):4823-4831. doi: 10.1039/d0cp00167h. Phys Chem Chem Phys. 2020. PMID: 32068766

6

A Novel Hyperbolic Two-Dimensional Carbon Material with an In-Plane Negative Poisson's Ratio Behavior and Low-Gap Semiconductor Characteristics.

Li M, Yuan K, Zhao Y, Gao Z, Zhao X. Li M, et al. Among authors: zhao x, zhao y. ACS Omega. 2020 Jun 25;5(26):15783-15790. doi: 10.1021/acsomega.0c00182. eCollection 2020 Jul 7. ACS Omega. 2020. PMID: 32656397 Free PMC article.

7

Theoretical Insight into Thermodynamically Optimal U@C₈₄: Three-Electron Transfer Rather Than Four-Electron Transfer.

Zhao Y, Yuan K, Han YB, Li MY, Ehara M, Zhao X. Zhao Y, et al. Among authors: zhao x. Inorg Chem. 2020 Sep 8;59(17):12650-12658. doi: 10.1021/acs.inorgchem.0c01756. Epub 2020 Aug 11. Inorg Chem. 2020. PMID: 32805996

8

Significant Roles of a Particularly Stable Two-Center Two-Electron Lu-Lu σ Bond in Lu₂@C₈₆: Electronic Structure of Lu and Radius of Lu².

Zhang K, Zheng H, Li M, Li QZ, Zhao Y, Zhao X. Zhang K, et al. Among authors: zhao x, zhao y. Inorg Chem. 2021 Feb 15;60(4):2425-2436. doi: 10.1021/acs.inorgchem.0c03336. Epub 2021 Jan 26. Inorg Chem. 2021. PMID: 33497217

9

Theoretically modelling graphene-like carbon matryoshka with strong stability and particular three-center two-electron π bonds.

Li M, Zhao Y, Gao Z, Yuan K, Zhao X. Li M, et al. Among authors: zhao x, zhao y. Phys Chem Chem Phys. 2021 May 26;23(20):11907-11916. doi: 10.1039/d1cp01307f. Phys Chem Chem Phys. 2021. PMID: 33998642

10

Composition-selective full inclusion host-guest interaction of azobenzene-containing photoresponsive nanoring with fullerene C₆₀.

Yuan K, Li M, Zhao Y, Liu Y, Zhao X. Yuan K, et al. Among authors: zhao x, zhao y. J Comput Chem. 2022 Jul 15;43(19):1276-1285. doi: 10.1002/jcc.26931. Epub 2022 May 29. J Comput Chem. 2022. PMID: 35644831

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

88,096 results

Search Page

Filters