An AB initio analysis of the second-order elasticity effect on nematic configurations
โ Scribed by C. Oldano; G. Barbero
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 258 KB
- Volume
- 110
- Category
- Article
- ISSN
- 0375-9601
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๐ SIMILAR VOLUMES
The Self-Consistent Reaction Field theory (extended to found to be significant; for instance, the ฮฒ zzz tensor component of TATB is calculated to be twice as large in include an ellipsoidal cavity for the solute and a multipolar expansion of the field) is used to investigate the influence of dichlor
## Abstract The electrocyclization of 4โsubstituted 3โsilyloxyโ2โazadienes to ฮฒโlactams was studied at the MP2/6โ31G\* level of theory and the effect of the substituents on the reactivity of the azadiene and on the stereochemistry of the cyclic products was evaluated. It was shown that the electroc