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Direct Measurements of Electric Fields in Weak Hydrogen Bonds

✍ Scribed by Saggu, Miguel; Levinson, Nicholas M.; Boxer, Steven G.

Book ID
122307526
Publisher
Biophysical Society
Year
2012
Tongue
English
Weight
64 KB
Volume
102
Category
Article
ISSN
0006-3495

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Extensive calculations on hydrogen bonded systems were carried out using the improved MM3 directional hydrogen bond potential. The resulting total function was reoptimized. Comparisons of the hydrogen bonding potential Ε½ UU . Ε½ . function from ab initio calculations MP2r6-31G ; the original MM3 89 ;