Intermediate neglect of differential overlap INDO calculations were used to study the structure of C CH . It was found that the CH group is mainly added to the C แC 70 2 2 I II ลฝ . C represents the first kind of carbon atom and so on or the C แC bond in C and I III III 70 a cyclopropane feature with
Theoretical studies on the structures of natural and alkylated cyclodextrins
โ Scribed by Nicholas S. Bodor; Ming-Ju Huang; John D. Watts
- Publisher
- John Wiley and Sons
- Year
- 1995
- Tongue
- English
- Weight
- 677 KB
- Volume
- 84
- Category
- Article
- ISSN
- 0022-3549
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The structure of Hh(n = 3,5,7,9,11) is determined from ab initio MO cakukxtions. The result for Hi(n = 5, 7,9) obtained by energy optimization in the 4-31G and 4-31G f p basis sets is reasonably eup!ained in terms of a charge-transfer interaction from Hz to Hi\_2 site. The orientation of Hz toward t
## Abstract Selectively alkylated and acylated cyclodextrin derivatives are suitable stationary phases for capillary GC. To obtain a closer insight into the separation mechanism, an inverse substituted cyclodextrin derivative was synthesized and characterized, and its chiral selectivity was compare
The experimental a(31p) hyperfine splitting (hfs) constants of the phosphonyl radicals Y21;O (Y = Me, OMe, NMe 2) are fairly well reproduced by ab initio calculations at the UMP2/DZP//TZP level of theory. The large increase observed experimentally in a(31p) with increasing electronegativity of the o
The intramolecular cyclization reactions of alkyl fluoride and chloride anions' were investigated theoretically using the AM1 method. Formation of five-membered ring was the most reactive and that of threemembered ring was the least reactive process in both series. For the fluoride series the reacti