Stereoelectronic Effects on the Conformational Properties of 1,3-Dioxane, 1,3-Dithiane, and 1,3-Diselenane: An Ab Initio Study and NBO Analysis

Keywords

Natural bond orbital, Chemistry, Delocalized electron, Ab initio, Lone pair

References

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• Molecular structure, gas-phase acidity and basicity of N-hydroxyureaMilan Remko, Paul D. Lyne, W. Graham Richards — 1999
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• Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.Chengteh Lee, Weitao Yang, Robert G. Parr — 1988
• Heterocyclic conformational analysisFrank G. Riddell — 1967
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• Elucidating the Origin of Conformational Energy Differences in Substituted 1,3-Dioxanes: A Combined Theoretical and Experimental Study.Piotr Cieplak, A. Howard, Jay P. Powers — 1996
• Konformationen von 1,3-dioxanen nach der kraftfeldmethode. nichtbindende wechselwirkungen von sauerstoffUlrich Burkert — 1977
• AB INITIO Molecular Orbital TheoryWarren J. Hehre — 1986
• Ab initio prediction of ring strain enthalpies of cyclic amine-boranesThomas M. Gilbert — 1998

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