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An analysis of the through-bond interaction using the localized molecular orbitals with ab initio calculations — V homo energy levels of many Propellane compounds

✍ Scribed by Takashi Ushio; Tsuyoshi Kato; Kehong Ye; Akira Imamura


Publisher
Elsevier Science
Year
1989
Tongue
French
Weight
872 KB
Volume
45
Category
Article
ISSN
0040-4020

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✦ Synopsis


The analysis of the through-space/bond interaction with ab initio calculation is applied to the HOMO energy levels ;;? propellane compounds. We could investigate molecular structural factors which dominate the height of the HOMO energy levels.