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On Differences between Hydrogen Bonding and Improper Blue-Shifting Hydrogen Bonding

✍ Scribed by Wiktor Zierkiewicz; Petr Jurečka; Pavel Hobza

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
159 KB
Volume
6
Category
Article
ISSN
1439-4235

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On the hydrogen bonding between water an
On the hydrogen bonding between water and ammonia molecules
✍ Lucjan Piela 📂 Article 📅 1972 🏛 Elsevier Science 🌐 English ⚖ 368 KB

The hydrogen bond N...H-0 between the water and ammonia molecules has been investigated ab initio using the SCF LCAO MO method. The minimal and extended basis sets of Slater type o:bitak were used. it was found that the energy of the hydrogen bond is equal to 6.44 kcal/mole and the equilibrium separ