The AM1 semiempirical molecular orbital method has been used to calculate successive heats of hydration of small anions, including hydride, hydroxide, and the halogen ions, for cluster sizes up to 11 water molecules surrounding the central anion. Heats of hydration agree with available experimental
β¦ LIBER β¦
The calculation of molecular entropy using the semiempirical AM1 method
β Scribed by Rosemary A. Barrett; Robert J. Meier
- Book ID
- 113258817
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 523 KB
- Volume
- 363
- Category
- Article
- ISSN
- 0166-1280
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