Basic Information

Research Fields

富勒烯及其衍生物的化学反应性的理论研究

Honors & Awards

Publications

2018

[13] Unexpected diverseness on electronic density and bonding behaviours for Sc₂X@C_2v(63751)-C₈₆ and Sc₂X@C₁(63755)-C₈₆ (X = S and O)

Meng Yang Li, Jin Bo Cui, Yao Xiao Zhao, Pei Zhao, Qiao Zhi Li and Xiang Zhao*

Chem. Phys. Lett. 2018, 707, 93-100.

DOI: 10.1016/j.cplett.2018.07.035

[12] Unmasking the Optimal Isomers of Ti₂C₈₄: Ti₂C₂@C₈₂ Instead of Ti₂@C₈₄

Yao Xiao Zhao, Meng Yang Li, Rui Sheng Zhao, Pei Zhao, Qiao Zhi Li and Xiang Zhao*

J. Phys. Chem. C, 2018, 122, 13148−13155.

DOI: 10.1021/acs.jpcc.8b02192

[11] Sc₂O@C_s(126339)-C₉₂: Di-scandium Oxide Cluster Encapsulated into a Large Fullerene Cage

Yong Xin Gu, Qiao Zhi Li, De Huai Li, Rui Sheng Zhao and Xiang Zhao*

Chem. Phys. Lett. 2018, 698, 77-84.

DOI: 10.1016/j.cplett.2018.03.003

2017

[10] Density functional theory characterization of metallofullerenes La₂C₉₂: La₂C₂@C₉₀ or La₂@C₉₂?

Wen Juan Guan, Qiao Zhi Li and Xiang Zhao*

Opened Online, 28 June 2017

http://en.paper.edu.cn/en_releasepaper/content/4737905

[9] Epoxy and Oxidoannulene Oxidation Mechanisms of Fused-Pentagon Chlorofullerenes: Oxides Linked by a Pirouette-Type Transition State

Qiao-Zhi Li, Jia-Jia Zheng, Ling He, Xiang Zhao,* and Shigeru Nagase

J. Org. Chem. 2017, 82, 6541-6549.

DOI:10.1021/acs.joc.7b00408

2016

[8] Sc₃N@C_s(39715)-C₈₂: A Missing Isomer Linked to Sc₃N@C_2v(39718)-C₈₂ by a Single Step Stone‒Wales Transformation

Wen-Juan Guan, Pei Zhao, Qiao-Zhi Li, Shigeru Nagase, Masahiro Ehara and Xiang Zhao*

RSC Adv. 2016, 6, 75588-75593.

DOI:10.1039/C6RA12774F

[7] Stabilization of a Chlorinated ^#4348C₆₆:C_2v Cage by Encapsulating Monometal Species: Coordination between Metal and Double Hexagon-Condensed Pentalenes

Qiao-Zhi Li, Jia-Jia Zheng, Ling He, Shigeru Nagase and Xiang Zhao*

Inorg. Chem. 2016, 55, 7667-7675.

DOI:10.1021/acs.inorgchem.6b01134

[6] Theoretical Survey on M@C₈₀ (M = Ca, Sr, and Ba): Behavior of Different Alkaline Earth Metal Impacting the Chemical Stability and Electronic Properties

Jin-Bo Cui, Yi-Jun Guo, Qiao-Zhi Li, Pei Zhao and Xiang Zhao*

Chem. Phys. 2016, 474, 7-17.

DOI:10.1016/j.chemphys.2016.04.003

[5] Magnetic and Electronic Properties of Porphyrin-Based Molecular Nanowires

Jia-Jia Zheng, Qiao-Zhi Li, Jing-Shuang Dang, Wei-Wei Wang and Xiang Zhao*

AIP Adv. 2016, 6, 015216.

DOI:10.1063/1.4941073

2015

[4] Azide Addition to Sc₂@C₆₆: Favorable Activity on Unsaturated Linear Triquinanes and Dramatic Reactivity Difference Compared with the Free C₆₆ Cage

Qiao-Zhi Li, Jia-Jia Zheng and Xiang Zhao*

Phys. Chem. Chem. Phys. 2015, 17, 20485-20489.

DOI:10.1039/c5cp03737a

[3] Bingel‒Hirsch Reaction on Sc₂@C₆₆: A Highly Regioselective Bond Neighboring to Unsaturated Linear Triquinanes

Qiao-Zhi Li, Jia-Jia Zheng and Xiang Zhao*

J. Phys. Chem. C 2015, 119, 26196-26201.

DOI:10.1021/acs.jpcc.5b08698

[2] Boosting Activation of Oxygen Molecules on C₆₀ Fullerene by Boron Doping

Qiao-Zhi Li, Jia-Jia Zheng, Jing-Shuang Dang and Xiang Zhao*

ChemPhysChem 2015, 16, 390-395.

DOI:10.1002/cphc.201402620

2014

[1] Theoretical Insights into the Host‒Guest Interactions between [6]Cycloparaphenyleneacetylene and Its Anthracene-Containing Derivative and Fullerene C₇₀

Kun Yuan, Yi-Jun Guo, Tao Yang, Jing-Shuang Dang, Pei Zhao, Qiao-Zhi Li and Xiang Zhao*

J. Phys. Org. Chem. 2014, 27, 772-782.

DOI:10.1002/poc.3324