Oxidation of Methanol by FeO 2+ in Water: DFT Calculations in the Gas Phase and Ab Initio MD Simulations in Water Solution
- 期刊名称The Journal of Physical Chemistry A
- 作者Louwerse, Manuel J.; Vassilev, Peter; Baerends, Evert Jan
- 卷第112卷
- 期第5期
- 印刷ISSN1089-5639
- 电子ISSN1520-5215
- 文件大小378.09KB
- 发表时间2008-02
- DOI10.1021/jp075914n
- 页码1000-1012
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