●中石化勘探開發(fā)研究院開放基金(33550000-21-ZC0611-0013):納米氧化銅對油頁巖催化轉(zhuǎn)化的影響及基于分子模擬的機(jī)理研究,2021.05-2022.05,主持 ●武漢科技大學(xué)煤轉(zhuǎn)化與新型碳材料湖北省重點(diǎn)實(shí)驗(yàn)室開放基金(WKDM201708):石墨烯與金屬氫化物基固體推進(jìn)劑組分微觀作用機(jī)理研究,2017.11-2018.10,主持
●荊州市科技局項(xiàng)目(2018030):新型金屬氫化物含能材料組分間的相容性機(jī)理及感度調(diào)控研究,2018.09-2019.08,主持 ●荊州市科技局項(xiàng)目(2019EC61-04):碳基納米復(fù)合破乳劑的分子設(shè)計(jì)及合成研究,2019.09-2020.08,主持 |
學(xué)術(shù)論文
● 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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