Effects of the Zeolite Framework on the Adsorptions and Hydrogen-Exchange Reactions of Unsaturated Aliphatic, Aromatic, and Heterocyclic Compounds in ZSM-5 Zeolite: A Combination of Perturbation Theory (MP2) and a Newly Developed Density Functional Theory (M06-2X) in ONIOM Scheme
- 期刊名称Langmuir
- 作者Boekfa, Bundet; Choomwattana, Saowapak; Khongpracha, Pipat; Limtrakul, Jumras
- 卷第25卷
- 期第22期
- 印刷ISSN0743-7463
- 电子ISSN1520-5827
- 文件大小4537.04KB
- 发表时间2009-11-17
- DOI10.1021/la901841w
- 页码12990-12999
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