## Abstract The natural hybrid orbitals of halogen atoms in various halogenβsubstituted alkanes and benzenes have been calculated by the FenskeβHall MO SCF method and natural hybrid orbital theory. Four consistent parameters __i, s, d__ and Ο are derived to describe the nuclear quadrupole coupling
A relation between the angular moments of natural orbitals and natural geminals
β Scribed by W. Kutzelnigg
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 153 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0009-2614
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Correlations are observed between the optical rotation of cr-pinenes and sitespecific isotope ratios, (D/H)i, determined by natural abundance deuterium NMR (SNIF-NMR). The optical purity can therefore be estimated by NMR without the need for spectral separation of the enantiomers.
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