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The effect of hydrogen bonding on structural parameters III a supplementary ab initio study of the formamide—water complex

✍ Scribed by Tor Ottersen; Harald H. Jensen

Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
211 KB
Volume
28
Category
Article
ISSN
0022-2860

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📜 SIMILAR VOLUMES

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 Sæbø; Hans-Jørgen Talberg 📂 Article 📅 1976 🏛 Elsevier Science ⚖ 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

The effect of hydrogen bonding on struct
The effect of hydrogen bonding on structural parameters. VII. on the additivity of the bond length changes: an ab initio study of the dihydrated formamide molecule
✍ Tor Ottersen; Anders Heiberg 📂 Article 📅 1976 🏛 Elsevier Science ⚖ 374 KB

The additivity of the effect of hydrogen bonding has been studied by ab initio calculations for two 1:2 formamide-water complexes, one where the formamide molecule is both a donor and acceptor (DON) and one where the two water molecules are bonded to the carbonyl oxygen (Doe). By comparison with the