2024年发表论文

(1) Li, Y.;# Mou, L.-H.;# Jiang, G.-D.; Li, Z.-Y.; *He, S.-G.; *Chen, H. Toward Designing Reactive Metal Clusters for Dinitrogen Activation: A Guideline Based on N2 Initial Adsorption, Ingor. Chem. 2024, 63, 10775-10785.

(2) Sun, C.-M.; Wei, G.-P.; *Yang, Y.; *Zhao, Y.-X. Thermal Reaction of NiAl₃O₆⁺ and Al₄O₆⁺ with Methane: Reactivity Enhanced by Doping, J. Phys. Chem. A 2024, 128, 1218-1225.

(3) Zhao, X.-G.,# *Zhao, Y.-X.,# *He, S.-G. Reactivity of Atomic Oxygen Radical Anions on Metal Oxide Clusters, ChemPlusChem 2024, in revision.

(4) Zhou, H.; Ruan, M.; Liu, Q.-Y.; Zhao, Y.-X.;Wang, R.-Y.; *Yang, Y.; *He, S.-G. Size-Dependent Reactivity of V_nO⁺ (n =1-9) Clusters with Ethane. Phys. Chem. Chem. Phys. 2024, 26, 14186.

(5) Hu, Y.-Z.; Wei, G.-P.; Zhao, Y.-X.; Liu, Q.-Y.; *He, S.-G. Experimental Reactivity of (MoO₃)_NO⁻ (N = 1–21) Cluster Anions with C₁-C₄ Alkanes: A Simple Model to Predict the Reactivity with Methane. J. Phys. Chem. A 2024, 128, 5253-5259.

(6) Zhao, A.; Liu, Qing.-Y.; Li, Z.-Y.; *Li, X.-N.; *He, S.-G. Reverse Water-Gas Shift Catalyzed by Rh_nVO_3,4^-(n = 3-7) Cluster Anions under Variable Temperatures.  Dalton T. 2024, 53, 8347-8355.

(7) Li, Q.; *Liu, Q.-Y.; *Zhao, Y.-X.; He, S.-G. Conversion of Methane at Room Temperature Mediated by the Ta-Ta σ-Bond. JACS Au 2024, 4, 1824-1832.

(8) Zhao, X.-G.;# Yang, Q.;# Xu, Y.; Liu, Q.-Y.; Li, Z.-Y.; Liu, X.-X.; *Zhao, Y.-X.; *He, S.-G. Machine Learning for Experimental Reactivity of a Set of Metal Clusters toward C-H Activation. J. Am. Chem. Soc.  2024, 146, 12485-12495.

(9) Yang, Q.; Li, Z.-Y.; Rodríguez-Kessler, Peter; *He, S.-G. Accelerated Global Optimization via the Deep Neural Network Complemented with Transfer Learning and Genetic Algorithm. Chinese J. Chem. Phys. 2024, 37, 321-329.

(10) Li, Z.-Y.; Liu, Q.-Y.; *He, S.-G. Spectroscopic Characterization of Thermal Methane Acitivation by Lewis-Acid-Base Pair in a Gas-Phase Pair in a Gas-Phase Metal Nitride Anion Ta₂N₃^-. ChemPhysChem 2024, e202400116.