Ab initio calcuhtions of the tieId gradient at the proton in ice fir are discussed. The major factor ca~&r; the observed reduction from the gas phase is the l~n~t~cnin~ of the OH bond in ice. A secondary factor is the ekctrosratic and throughbond effect of the hydrogen bond. The best estimate [ I,?
β¦ LIBER β¦
The Effects of Charge Transfer Interactions on the Properties of Ice Ih
β Scribed by Yoo Jin Chung; Steven W. Rick
- Book ID
- 106431973
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 405 KB
- Volume
- 145
- Category
- Article
- ISSN
- 0022-4715
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