The origins of correlation effects in the valence ionization energies of N2: A generalized-valence-bond interpretation
β Scribed by C.M. Kao; R.P. Messmer
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 349 KB
- Volume
- 106
- Category
- Article
- ISSN
- 0009-2614
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In order to investigate the influence of electron correlation on the characteristic N-N bond in connection with the impact sensitivity in nitramines, only the N-NO2 bond length of N,Ndimethylnitramine is optimized by the ab initio molecular orbital method to assess the effect of the electron correla