研究领域
1.生物质转化的催化反应机理；
2.CH4、CO2、NO、CO等小分子的催化反应机理；
3.碳氢燃料的催化燃烧反应动力学机理；
4.量子点前驱体的形成机理。
近期论文
1.HuiXin, Kai Guo, Dan Li*,Huaqing Yang*, Changwei Hu
Production of High-grade Diesel from Palmitic Acid over Activated Carbon-supported Nickel Phosphide Catalysts
Appl. Catal. B-Environ., 2016, DOI: 10.1016/j.apcatb.2016.01.051. (B级, 2014-IF=7.435)
2.Li-KeRen; Hua-Qing Yang*; Chang-Wei Hu*
“Theoretical Study on the Catalytic Oxidation Mechanism of 5-Hydroxymethylfurfural to 2, 5-Diformylfuran by PMo-Containing KegginHeteropolyacid”
Catal. Sci. & Technol., 2016, DOI: 10.1039/C5CY01895A. (C级, 2014-IF=5.426)
3.Ting Qi, Hua-Qing Yang*, Dennis M. Whitfield, Kui Yu*, Chang-Wei Hu
Insights into the Mechanistic Role of DiphenylphosphineSelenide, Diphenylphosphine, and Primary Amines in the Formation of CdSe Monomers
J. Phys. Chem. A, 2016, DOI:10.1021/acs.jpca.5b10675. (C级, 2014-IF=2.693)
4.Ben-Fang Su; Hong-Quan Fu; Hua-Qing Yang*; Chang-Wei Hu
“Catalytic Reduction Mechanism of NO by CO on Rh4+ Cluster: A Density Functional Theory Study”
Catal. Sci.& Technol., 2015, 5, 3203–3215.(C级, 2014-IF=5.426)
5.Shu Chen; Hua-Qing Yang*; Chang-Wei Hu*
“Theoretical Study on the Reaction Mechanisms of the Aldol-condensation of 5-hydroxymethylfurfural with Acetone Catalyzed by MgO and MgO+”
Catal. Today, 2015, 245, 100–107.(C级, 2014-IF=3.893)
6.Hong-Quan Fu; Ben-Fang Su; Hua-Qing Yang*; Chang-Wei Hu
“Theoretical Insight into C-H and C-C Scission Mechanism of Ethane on Tetrahedral Pt4Subnanocluster”
RSC Adv., 2015, 5, 40978–40988.(C级, 2014-IF=3.840)
7.Hua-Qing Yang; Hong-Quan Fu; Ben-Fang Su; Bo Xiang; Qian-QianXu; Chang-Wei Hu*
“Theoretical Study on the Catalytic Reduction Mechanism of NO by CO on Tetrahedral Rh4Subnanocluster”
J. Phys. Chem. A,2015, 119, 11548−11564. (C级, 2014-IF=2.693)
8.Kui Yu*; Xiangyang Liu; Queena Y. Chen; Huaqing Yang*; Mingli Yang; Xinqin Wang; Xin Wang; Hong Cao; Dennis M. Whitfield; Changwei Hu; Ye Tao
“Mechanistic Study of the Role of Primary Amines in Precursor Conversions to Semiconductor Nanocrystals at Low Temperature”
Angew. Chem. Int. Ed.,2014, 53, 6898–6904.(B级, 2014-IF=11.261)
9.Meng-Fu He; Hong-Quan Fu; Ben-Fang Su; Hua-Qing Yang*; Jin-Qiang Tang; Chang-Wei Hu*
“Theoretical Insight into the Coordination of Cyclic β-D-Glucose to [Al(OH)(aq)]2+ and [Al(OH)2(aq)]1+ Ions”
J. Phys. Chem. B, 2014, 118, 13890−13902.(C级, 2014-IF=3.302)
10.Ting-Yong Ju; Hua-Qing Yang*; Fang-Ming Li; Xiang-Yuan Li ; Chang-Wei Hu*
“Activation of Propane C-H and C-C Bonds by a Diplatinum Cluster: Potential EnergySurfaces and Reaction Mechanisms”
Struct. Chem.,2014, 25, 471−481. (D级, 2014-IF=1.837)
11.Ting-Yong Ju; Hua-Qing Yang*; Fang-Ming Li; Xiang-Yuan Li; Chang-Wei Hu*
“Reaction Mechanism on the Activation of Ethane C-H and C-C Bonds by a Diplatinum Cluster”
Theor. Chem. Acc., 2013, 132(9), 1387−1400. (D级, 2014-IF=2.233)
12.QianqianXu; Huaqing Yang*; Chao Gao; Changwei Hu*
“Theoretical Study on the Reaction Mechanism of NO and CO Catalyzed by Rh Atom”
Struct.Chem., 2013, 24, 14−23.(D级, 2014-IF=1.837)
13.Caiqin Li; Huaqing Yang*; JianXu; Changwei Hu
“Hydroxylation Mechanism of Methane and its Derivatives over Designed Methane Monooxygenase Model with PeroxoDizinc Core”
Org. Biomol. Chem., 2012, 10, 3924−-3931.(D级, 2014-IF=3.562)
14.Fangming Li; Huaqing Yang*; TingyongJu; Xiangyuan Li; Changwei Hu
“Activation of Propane C-H and C-C Bonds by Gas-Phase Pt Atom: A Theoretical Study”
Int. J. Mol. Sci., 2012, 13, 9278−9297. (D级, 2014-IF=2.862)
15.Song Qin; Huaqing Yang*; Chao Gao; JianXu; Changwei Hu*
“Methane Dehydrogenation on Monomeric Rh Center Located on (100)γ-alumina — A Theoretical Study”
Surf. Sci., 2012, 606, 1899–1905.(D级, 2014-IF=1.925)
16.Fangming Li; Huaqing Yang*; TingyongJu; Xiangyuan Li; Changwei Hu
“Activation of C–H and C–C Bonds of Ethane by Gas-phase Pt atom: Potential Energy Surface and Reaction Mechanism”
Comput.Theor.Chem., 2012, 994, 112−120.(E级, 2014-IF=1.545)
17.Liang Dong; Jun Wen; Song Qin; Na Yang; Huaqing Yang; Zhishan Su; Xiaoqi Yu; Changwei Hu*
“Iron-Catalyzed Direct Suzuki−Miyaura Reaction: Theoretical and Experimental Studies on the Mechanism and the Regioselectivity”
ACS Catal.,2012, 2, 1829−1837.(B级, 2014-IF=9.312)
18.Liang Dong; Song Qin; Huaqing Yang; Zhishan Su; Changwei Hu*
“Theoretical Investigation on Copper Hydrides Catalyzed HydrosilylationReaction of 3-methylcyclohex-2-enone: Mechanism and Ligands’ Effect”
Catal. Sci. Technol., 2012, 2, 564–569.(C级, 2014-IF=5.426)
19.Huaqing Yang; Changwei Hu*; Chao Gao; Mengyao Yang; Fangming Li; Caiqin Li; Xiangyuan Li
“Theoretical Study on the Gas-Phase Reaction Mechanism Between Palladium Monoxide and Methane”
J.Comput.Chem.,2011, 32, 3440−3455.(C级, 2014-IF=3.589)
20.Mengyao Yang; Huaqing Yang*; Chao Gao; Song Qin; Changwei Hu*
“Theoretical Study on the Gas-phase Reaction Mechanism BetweenRhodium Monoxide Cation and Methane”
Struct.Chem., 2011, 22, 983−997.(D级, 2014-IF=1.837)