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Influence of intermolecular interactions on multipole-refined electron densities
- Publication Year :
- 1999
-
Abstract
- This work examines the effect of intermolecular interactions on molecular properties derived from simulated X-ray diffraction data. Model X-ray data are computed from a superposition of ab initio molecular electron densities in the crystal, as well as fr<br />Addresses: Spackman MA, Univ New England, Div Chem, Armidale, NSW 2351, Australia. Univ New England, Div Chem, Armidale, NSW 2351, Australia. Univ Uppsala, Inst Chem, S-75121 Uppsala, Sweden.
Details
- Database :
- OAIster
- Notes :
- English
- Publication Type :
- Electronic Resource
- Accession number :
- edsoai.on1234627098
- Document Type :
- Electronic Resource