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The ammonia—sulfur trioxide interaction. An ab initio study

✍ Scribed by John E. Douglas; George L. Kenyon; Peter A. Kollman


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
385 KB
Volume
57
Category
Article
ISSN
0009-2614

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Hydrated Al ions Al H O , n s 1᎐6, were examined with ab 2 n Ž . initio self-consistent field SCF calculations. The relative contributions of two-, three-, w Ž . x 3q and higher-body terms to the total interaction energy for an Al H O complex were 2 6 calculated. The sum of all three-body contribut