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On the hydrogen bonding between water and ammonia molecules

✍ Scribed by Lucjan Piela

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
368 KB
Volume
15
Category
Article
ISSN
0009-2614

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✦ Synopsis

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 separation of the oxygen and nitrogen atoms in the dimer is 5.72 au. At this intermolecular distance there is only one minimum in the potential energy curve for the motion of proton.

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