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Theoretical study on the hydroxide ion addition to esters
- Source :
- Journal of Molecular Structure: THEOCHEM. 150:251-258
- Publication Year :
- 1987
- Publisher :
- Elsevier BV, 1987.
-
Abstract
- By means of the MINDO/3 method the potential surfaces for the method of attack of hydroxide ion on methyl formate and methyl oxalate anion have been studied. In the case of the neutral ester three competitive mechanisms have been found, in good agreemen with experimental results in the gas phase.
Details
- ISSN :
- 01661280
- Volume :
- 150
- Database :
- OpenAIRE
- Journal :
- Journal of Molecular Structure: THEOCHEM
- Accession number :
- edsair.doi...........fbaf4c24aa62160462debf575dc38159
- Full Text :
- https://doi.org/10.1016/0166-1280(87)85023-6