التفاصيل البيبلوغرافية
| العنوان: |
Flexing analysis of ethane internal rotational energetics. |
| المؤلفون: |
Goodman, Lionel, Hongbing Gu, Pophristic, Vojislava |
| المصدر: |
Journal of Chemical Physics; 3/1/1999, Vol. 110 Issue 9, p4268, 8p |
| مصطلحات موضوعية: |
ETHANES, MOLECULAR orbitals, CHEMICAL bonds, CHARGE transfer |
| مستخلص: |
Describes the flexing analysis of the ethane barrier energy in terms of structural, steric exchange and hyperconjugative charge-transfer energy contributions using natural bond orbitals. Differences in stereoelectronic dependencies; Effects of the C-C bond expansion on the energy contributions; Importance of the interactions as determinant for the expansion. |
| قاعدة البيانات: |
Complementary Index |
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