Heats of formation for the azine series: A Gaussian-3 study
Applying the Gaussian-3 (G3) model and its variant G3(MP2), and using the atomization scheme, the heats of formation (∆Hf) at 0 K and 298 K have been calculated for twelve monocyclic azines with the general formula Nn(CH)6-n n = 1, 2,…, 6. Upon comparing the calculated results with available experim...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Serbian Chemical Society
2002-01-01
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| Series: | Journal of the Serbian Chemical Society |
| Subjects: | |
| Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2002/0352-51390204257C.pdf |