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Ab initio study on the resonance effect in the hydrogen- and halogen-bonded complexes of hypohalous acids with formamide and its derivatives

✍ Scribed by Tao Liu; Wan-Dong Chen; Ling-Li Han; Zhang-Yu Yu; Wen-Zuo Li

Book ID
116379932
Publisher
Elsevier
Year
2011
Tongue
English
Weight
402 KB
Volume
974
Category
Article
ISSN
2210-271X

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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