Net atomic charges, electric moments, and sign and magnitude of optical rotatory power in α-TeO 2 at 296 K
Optical activity is determined from a point charge model in one enantiomorph of a chiral and semiconducting α-TeO 2 crystal. Net atomic charges of Te and O atoms are iterated and electric moments derived. Second electric moments in the principal axis directions are calculated and their ratio is fitt...
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| Veröffentlicht in: | Journal of applied crystallography 2020-10, Vol.53 (5), p.1252-1256 |
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| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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