| Title |
Ab-initio modeling of the addition reaction of methylsulfenchloride to functionalized ethenes / |
| Translation of Title |
Metilsulfenchlorido prisijungimo prie pavaduotų etenų reakcijos modeliavimas taikant ab-initio metodą. |
| Another Title |
Metilsulfenchlorido prisijungimo prie pavaduotų etenų reakcijos modeliavimas taikant Ab-initio metodą. |
| Authors |
Vektarienė, Aušra |
| Full Text |
|
| Is Part of |
Chemija. 2006, T. 17, Nr. 2-3, p. 47-51.. ISSN 0235-7216 |
| Keywords [eng] |
Ab-initio calculations ; Addition reaction, regioselectivity ; Regioselectivity |
| Abstract [eng] |
Ab-initio calculations have been applied in order to get morc insight into the nature of the experimentally observed regioselectivity of the electrophilic addition reaction of methylsulfide cation to ethene and its methyl, chloro, carboxyl, vinyl substituted derivatives leading to intermediate formation, followed by the further nucleophilic attack of the chloride anion. |
| Type |
Journal article |
| Language |
English |
| Publication date |
2006 |
