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Electron density of H2O in a crystalline environment |
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| Authors: | Kersti Hermansson Sten Lunell |
| Institution: | Department of Inorganic Chemistry, University of Uppsala, S-751 21 Uppsala, Sweden |
| Abstract: | The influence of the surroundings on the water molecule m LiOH·H2O has been studied by ab initio MO LCAO SCF techniques. The main features are an enhancement of the polarity of the molecule and a decrease in the lone-pair density. |
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