Guanghui Yang

Theoretical investigation on the interaction of hypergolic monomethylhydrazine with 1-chloro-1,1-dinitro-2-(N-chloroamidino)ethane using DFT methods

Xuri Huang, W. Feng, Huiling Liu, 2017, Theoretical Chemistry Accounts.

Constructing (super)alkali-boron-heterofullerene dyads: an effective approach to achieve large first hyperpolarizabilities and high stabilities in M3O-BC59 (M = Li, Na and K) and K@n-BC59 (n = 5 and 6).

Xuri Huang, Guangtao Yu, Wei Chen, 2014, Physical chemistry chemical physics : PCCP.

Doping the alkali atom: an effective strategy to improve the electronic and nonlinear optical properties of the inorganic Al12N12 nanocage.

Xuri Huang, Guangtao Yu, Wei Chen, 2014, Inorganic chemistry.

Methanol activation catalyzed by Pt7, Pt3Cu4, and Cu7 clusters: A density functional theory investigation

Xuri Huang, W. Feng, Huiling Liu, 2018 .

Dissociation and oxidation mechanism of methanol on Al12N12 cage: a DFT study

Xuri Huang, W. Feng, Huiling Liu, 2018, Theoretical Chemistry Accounts.

Hydrophilic functionalization of rhodium metallene for saving-energy hydrogen production and sulfur recovery

Guanghui Yang, Ziqiang Wang, You Xu, 2023, Chemical Engineering Journal.