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Quantum mechanical studies of environmental effects on biomolecules

✍ Scribed by Alberte Pullman; Giuliano Alagona; Jacopo Tomasi

Publisher
Springer
Year
1974
Tongue
English
Weight
146 KB
Volume
33
Category
Article
ISSN
1432-2234

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Quantum mechanical studies of environmen
Quantum mechanical studies of environmental effects on biomolecules. An ab initio study of the hydration of dimethylphosphate
✍ A. Pullman; H. Berthod; N. Gresh πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 380 KB

## ST0 3G SCF computations are used to determine the most favorable sites of water fixation and the lability of the bindin on the dimethyiphosphata anidn. A newly circuhr region of attraction fo7 water'surrounds ach of the anionic oxygens and a number of other possible hydr-tion sites ye found wit