Supermolecule density functional calculations suggest a key role for solvent in alkaline hydrolysis of p-nitrophenyl phosphate |
| |
| Authors: | Zhang Lidong Xie Daiqian Xu Dingguo Guo Hua |
| |
| Affiliation: | Institute of Theoretical and Computational Chemistry, Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, People's Republic of China. |
| |
| Abstract: | ![]()
Supermolecule density functional theory calculations show that solvent is responsible for the concerted transition state in alkaline hydrolysis of p-nitrophenyl phosphate suggested by heavy atom kinetic isotope effects. |
| |
| Keywords: | |
| 本文献已被 PubMed 等数据库收录！ |
|
