An ab initio study of the formation and
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Tae-Kyu Ha; Minh Tho Nguyen
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Article
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1983
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Elsevier Science
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English
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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