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INTERNAL AND EXTERNAL IMPLICATIONS OF THE STRUCTURE OF HYDROGEN BONDED COMPLEXES . II. MNDO-PM3 STUDIES ON THE STRUCTURE OF THE 4-METHYLPYRIDINE COMPLEX WITH PENTACHLOROPHENOL

✍ Scribed by A. Koll; I. Majerz

Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
743 KB
Volume
103
Category
Article
ISSN
0037-9646

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The effect of hydrogen bonding on struct
The effect of hydrogen bonding on structural parameters: VI. The angular dependence of the hydrogen bond strength-AN ab initio Study of the formamide-water and the formamide-methane complexes
✍ Tor Otterson; Svein SΓ¦bΓΈ; Hans-JΓΈrgen Talberg πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science βš– 292 KB

The effect of changing the L C=O -. \* H on the energy of the linear hydrogen bond has been studied by ab initio calculations for one formamide-methane complex and two formamide-water complexes, which differ in the position of the second hydrogen (H2,) of the water molecule (i.e. the one not involve