|
|||||
|
|
Density functional theory study of the oxidation reaction in the gas and aqueous phase of allyl methyl disulfide with hydroxyl radical |
|
| Authors: | Díaz Mario G. Andrada Matías F. Vega-Hissi Esteban G. Martinez Juan C. Garro |
| Affiliation: | 1.IMIBIO, CONICET, Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis, Chacabuco 915, 5700, San Luis, Argentina ;2.Facultad de Química, Bioquímica y Farmacia, Universidad Nacional de San Luis, Chacabuco 915, 5700, San Luis, Argentina ; |
| Abstract: | Structural Chemistry - An in silico analysis of the oxidation mechanism of allyl methyl disulfide (AMDS) by hydroxyl radical was achieved at DFT level using B3LYP, CAM-B3LYP, M06-2X, and BMK... |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ | |