Investigation of the addition of water and methanol to protonated acetone and its monohalogenated derivatives in gas phase
Özet
The nucleophilic addition reactions of water and methanol to protonated acetone and its monohalogenated derivatives were investigated ill gas phase by using MOPAC6.(1) The transition states were determined by SADDLE method in MOPAC6. The systems were characterized as transition states by the presence of negative force constant hi the Hessian matrix of a force calculation. Semiempirical calculations were also performed by MNDO method from MOPAC6.
Kaynak
REVUE ROUMAINE DE CHIMIECilt
45Sayı
1Koleksiyonlar
- Makale Koleksiyonu [5200]
- Makale Koleksiyonu [5745]
- Öksüz Yayınlar Koleksiyonu - WoS [6162]