●中石化勘探开发研究院开放基金(33550000-21-ZC0611-0013):纳米氧化铜对油页岩催化转化的影响及基于分子模拟的机理研究,2021.05-2022.05,主持 ●武汉科技大学煤转化与新型碳材料湖北省重点实验室开放基金(WKDM201708):石墨烯与金属氢化物基固体推进剂组分微观作用机理研究,2017.11-2018.10,主持
●荆州市科技局项目(2018030):新型金属氢化物含能材料组分间的相容性机理及感度调控研究,2018.09-2019.08,主持 ●荆州市科技局项目(2019EC61-04):碳基纳米复合破乳剂的分子设计及合成研究,2019.09-2020.08,主持 |
学术论文
● Wang Y, Lu L, Lai L, et al. Comparison of interactions between aluminium hydride oxide surfaces and three energetic plasticizers: DFT calculations. Applied Surface Science, 2019, 488: 237-245. ●Yanqun W, Baoshan W, Wei L. Theoretical Investigation on the Adsorption of Nitroglycerin on the alpha-Al2O3(0001) and gamma-Al2O3(110) Surfaces. Chemical Journal Of Chinese Universities-Chinese, 2017, 38(8): 1383-1389. ●Wang Y, Tang Y, Shao Y. Theoretical investigation on the reaction of Methylidyne Radical (CH) with acetaldehyde (CH3CHO). Computational and Theoretical Chemistry, 2017, 1103: 56-62. ● Wang Y, Tang Y, Shao Y. Theoretical investigation of the selective dehydration and dehydrogenation of ethanol catalyzed by small molecules. Journal of Molecular Graphics and Modelling, 2017, 76: 521-534. ●Wang Y, Tang Y, Shao Y. Catalytic influence of water and formic acid molecules on hydration of methylglyoxal in atmosphere. Computational and Theoretical Chemistry, 2017, 1112: 71-81.
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