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A coupled-cluster approach to the relative strains in [1.1.1]propellane, its derivatives and hetero[1.1.1]propellanes

✍ Scribed by Xu, Hanying; Saebo, Svein; Pittman, Charles U.


Book ID
126862357
Publisher
Taylor and Francis Group
Year
2012
Tongue
English
Weight
664 KB
Volume
110
Category
Article
ISSN
0026-8976

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Theoretical study of the 1J(13C13C) indi
✍ V. Galasso πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 350 KB

Ab initio calculations using the equations of motion approach are reported for 'J( 13C"C) of the bridgehead bond in [ 1.1.1 I-, 12.1.1 I-, [2.2.1 I-, [2.2.2]-, [3.2.1 ]-propellane, bicyclobutane, bicyclopentane, bicyclohexane and tetracyclopentane. The results give an overall picture of the influenc