𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Fluoride in ground water

✍ Scribed by Joan E. Brasaemle; Robert G. Corbett


Book ID
103566872
Publisher
Elsevier Science
Year
1980
Weight
760 KB
Volume
14
Category
Article
ISSN
0160-8002

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The potential ofmean force (PMF) for an F--F-ion pair at room temperature was calculated using a rigid simple point charge (SPC/E) water model and molecular dynamics techniques. The PMF displayed a minimum at an ion-ion separation of 4.3 A with a barrier height of approximately 1.5 kcal/mol. The bar