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The direct force on electromigrating hydrogen isotopes

โœ Scribed by A Lodder; K Hashizume


Book ID
117625398
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
136 KB
Volume
288
Category
Article
ISSN
0925-8388

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Directional hydrogen bonding in the MM3
โœ Lii, Jenn-Huei; Allinger, Norman L. ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 237 KB

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 ลฝ UU . ลฝ . function from ab initio calculations MP2r6-31G ; the original MM3 89 ;