this study, an evaluation has been made of the performance of the minimal STO-3G and the extended 4-3 iG basis sets, and of the effect of the rigid monomer r&riction in the calculation of the relative proton affinities of the bases H2C0, CH&HO, and HCOOH. The best agreement between the computed and
A study of the basis set dependence of the geometry and proton affinity for a series of vinyl ethers and vinyl sulfides
✍ Scribed by K. Ösapay; L. Hevesi; J. Delhalle
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 566 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0020-7608
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📜 SIMILAR VOLUMES
Proton affinities of vinyl and allyl anions of cyclic vinyl ethers and cycloalkenes obtained at the B3PW91 level with Davidson's modification of basis set aug-cc-pVDZ are presented to further explore deprotonation reactions of cyclic vinyl ethers. The presence of an oxygen atom ¢x to a vinyl anion h
KT1 2EE, UK ## SYNOPSIS A thermosetting resin consisting of a mixture of vinyl-terminated oligomeric ethers was prepared by a two-step synthesis. This required the reaction of 1,4-bis (chloromethyl) benzene with the potassium salt of bisphenol A, and subsequent vinylation of the chloromethyl end