摘要 : The adsorption simulation of acetic acid, methanol, and triacetin has been carried out on the ZnO and V-doped ZnO (V-ZnO) through computational study. The DFT/B3LYP method was applied using the Def2-TZVP basis set. The results sho... 展开
作者 | Juwono~ Hendro Imron~ Anas F. Oktavianti~ Nanik I. Ivansyah~ Atthar L. Kusumawati~ Yuly |
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作者单位 | |
期刊名称 | 《Monatshefte fur Chemie》 |
总页数 | 11 |
语种/中图分类号 | 英语 / O6 |
关键词 | Ab initio calculations Computational chemistry Density functional theory Esterification Adsorption BIODIESEL PRODUCTION ZINC-OXIDE TRANSITION METAL |
馆藏号 | N2007EPST0003185 |