A new twist to molecular chirality: intrinsic chirality indices
- 20 April 1995
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 84 (6) , 1193-1206
- https://doi.org/10.1080/00268979500100831
Abstract
We propose an intrinsic molecular chirality tensor based only on nuclear positions. The chirality tensor gives rise to two universal chirality indices, the first giving information about absolute chirality, and the second about the anisotropy chirality, i.e., the degree of chirality in different spatial directions. The formalism is derived using simple models obtained from the theory of optical activity. The indices are calculated analytically for a right angled tetrahedron, and numerically for a small selection of molecules.Keywords
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