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An ab initio study of the formation and structure of NO+-(N2)n (n = 1 and 2) clusters

โœ Scribed by Minh Tho Nguyen


Book ID
118319196
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
530 KB
Volume
117
Category
Article
ISSN
0009-2614

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An ab initio study of the formation and
โœ Tae-Kyu Ha; Minh Tho Nguyen ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 359 KB

The energy difference between the HzCN\*-N2 comples and its components, H2CN\* 2nd N2. has been ulculated PS 89 and 6-4 kcal/mol by ab initio SW calculations employing the 4-31G and 6-31G\*\* basis sets. These ~AICS agree with the previously estimated heat of formation of 7.65 kul/mol. The reaction