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The N[sub 2]–N[sub 2] system: An experimental potential energy surface and calculated rotovibrational levels of the molecular nitrogen dimer

✍ Scribed by Aquilanti, V.; Bartolomei, M.; Cappelletti, D.; Carmona-Novillo, E.; Pirani, F.


Book ID
118215094
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
555 KB
Volume
117
Category
Article
ISSN
0021-9606

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An ab initio molecular orbital study of
✍ Larry A. Curtiss; David L. Drapcho; John A. Pople 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 577 KB

The NeH potentiaI energy surface has been examined by ab initio molncuiar orbital theory usin8 the 6-3 lG\*\* basis set with correlation enem ev&ated by MQIIer-Plesset perturbation theory to fourth order. The AE for N2H + N2 + H is -14.4 kcal mol-' and the barrier to dissociation is 10.5 kcal mol-r