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Conformational Equilibria of Ethanolamine and Its Hydrochloride in Solution

✍ Scribed by Smith, Tim D.; Gerken, James B.; Jog, Parag V.; Roberts, John D.


Book ID
121273533
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
103 KB
Volume
9
Category
Article
ISSN
1523-7060

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## Abstract With a view of using data on solutions and liquids for parameter fitting in molecular mechanical force fields, Abraham's theory of solvation is incorporated in the force field procedure. Geometries and bond moments are estimated internally, partial account being taken of bond–bond induc