1. Revisiting the Intriguing Electronic Features of the BeOBeC Carbyne and Some Isomers: A Quantum- Chemical Assessment,ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2020年
2. Counter-intuitive Gas-phase Reactivities of [V2]+ and [V2O]+ towards CO2 Reduction: Insight from Electronic Structure Calculations,ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2020年
3. On the Crucial Role of Isolated Electronic States in the Thermal Reaction of ReC+ with Dihydrogen,ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,2020年
4. A Reaction-Induced Localization of Spin Density Enables Thermal C-H Bond Activation of Methane by Pristine FeC4+,CHEMISTRY-A EUROPEAN JOURNAL,2019年
5. Complete Cleavage of the N≡N Triple Bond by Ta2N+ via Degenerate Ligand Exchange at Ambient Temperature: A Perfect Catalytic Cycle,PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2019年
6. Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects,JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2019年
7. Ta2+-Mediated Ammonia Synthesis from N2 and H2 at Ambient Temperature,PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2018年
8. Thermal O-H Bond Activation of Water as Mediated by Heteronuclear [Al2Mg2O5].+: Evidence for Oxygen-Atom Scrambling,JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2018年
9. Electrostatic and Charge-Induced Methane Activation by a Concerted Double C-H Bond Insertion,JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,2017年