Density Functional Theoretical Studies on Effect of Intramolecular Hydrogen Bonds on Reduction of Nitrophenols
- ISSN号:1005-9040
- 期刊名称:《高等学校化学研究:英文版》
- 时间:0
- 分类:O623.413[理学—有机化学;理学—化学] O641.121[理学—物理化学;理学—化学]
- 作者机构:[1]Jiangsu Key Laboratory for Chemical Pollution Control and Resource Reuse, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094, P. R. China, [2]Chuannan Machinery Factory, China Aerospace Science and Technology Corporation, Luzhou 646000, P. R. China
- 相关基金:Supported by the National Natural Science Foundation of China(No. 51378261).
关键词:
分子内氢键, 密度泛函理论, 硝基还原, 对硝基酚, 降解行为, 电子亲和势, 计算表, 理化特性, Nitrophenol, Reduction, Intramolecular hydrogen bond, Effect mechanism, Density functional theory