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Computation of charge transfer probability between protons and excited hydrogen atoms

✍ Scribed by V. Malaviya


Book ID
104109156
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
52 KB
Volume
35
Category
Article
ISSN
0010-4655

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The point atomic charges in a number of ionic H-bonded systems are studied by ab initio calculations as functions of the proton transfer coordinate. In the proton-bound complexes of water-water, ammonia-ammonia, formamidewater, formamide-ammonia, and dimethylether-ammonia, the net atomic charges wer