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List of works by Xiang Zhao

Assessing counterion effects in gold-catalyzed domino spirocyclization: an industrial perspective on hydrogen bonding

scientific article published on 01 September 2020

Concave binding of cationic Li to quadrannulene

scientific article published on 01 August 2017

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

scientific article published on 12 September 2019

Curved Carbon Skeleton in Oriented External Electric Fields: Modulated Curvature, Directional Bowl Inversion, and Face-Selective Cycloadditions of Corannulene

scientific article published on 02 June 2020

Deciphering the Role of Long-Range Interaction in Endohedral Metallofullerenes: A Revisit to Sc2C70

Defective h-BN sheet embedded atomic metals as highly active and selective electrocatalysts for NH3 fabrication via NO reduction

scientific article published on 05 October 2020

Diels-Alder Cycloaddition on Nonisolated-Pentagon-Rule C2v(19 138)-C76 and YNC@C2v(19 138)-C76: The Difference in Regioselectivity Caused by the Inner Metallic Cluster

scientific article published on 01 November 2019

Directional Diels-Alder cycloadditions of isoelectronic graphene and hexagonal boron nitride in oriented external electric fields: reaction axis rule vs. polarization axis rule

scientific article published on 13 July 2020

Encapsulation of Monometal Uranium into Fullerenes C2n (2n = 70-74): Important Ionic U4+C2n4- Characters and Covalent U-Cage Bonding Interactions

scientific article published on 07 August 2019

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

scientific article published on 7 June 2017

Formation of Stone-Wales edge: Multistep reconstruction and growth mechanisms of zigzag nanographene

scientific article

Fused-Pentagon-Configuration-Dependent Electron Transfer of Monotitanium-Encapsulated Fullerenes.

scientific article

How to Stabilize a Heptagon-Containing C80 Cage by Endohedral Derivation

scientific article published on 01 June 2020

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

scientific article published on 06 August 2019

La-La bonded dimetallofullerenes [La2@C2n]-: species for stabilizing C2n (2n = 92-96) besides La2C2@C2n

scientific article published on 01 May 2018

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

scientific article published on 09 October 2019

Newly-designed basket-shaped nanocarbon materials as strong and universal fullerene receptors

scientific article published on 02 January 2020

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

scientific article published on 21 August 2019

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

scientific article published on 01 February 2020

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

scientific article published on 21 September 2017

Revisit of the Saito-Dresselhaus-Dresselhaus C2 ingestion model: on the mechanism of atomic-carbon-participated fullerene growth

scientific article published on 25 October 2017

Stabilities, Geometries, Electronic Structures, and Conversion Rules of Carbide Cluster Metallofullerenes

scientific article published in 2022

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

scientific article published on 21 August 2017

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

scientific article published on 11 August 2020

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

scientific article published on 26 February 2018

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

scientific article published on 01 July 2020

Thermodynamic control of quantum defects on single-walled carbon nanotubes

scientific article published on 01 November 2019

Thermodynamically instead of Kinetically Controlled [6,6]-Open Monoadduct for the Photoreaction of Dy<sub>2</sub>TiC@<i>I</i><sub><i>h</i></sub>-C<sub>80</sub> with Diazirine

scientific article published in 2023

Van Der Waals heterogeneous layer-layer carbon nanostructures involving π···H-C-C-H···π···H-C-C-H stacking based on graphene and graphane sheets.

scientific article published on 6 February 2017

[2 + 2]-type Reaction of Metal-Metal σ-Bond with Fullerene Forming an η1-C60 Metal Complex: Mechanistic Details of Formation Reaction and Prediction of a New η1-C60 Metal Complex

scientific article published on 11 May 2017

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