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Theoretical conformational studies on unsaturated aldehydes. II. 4-hydroxy-2-alkenals

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Abstract

Conformational analyses (using the PCILO method) and structural analyses (using the Hartree-Fock method with the STO-3G and 3-21G basis sets) have been performed on the six 4-hydroxy-s-trans-2-alkenals from 4-hydroxy-2-butenal to 4-hydroxy-2-nonenal. This series of molecules were found to be very similar both structurally and electronically, not only to each other but also to the fives-trans-2-alkenals studied previously.

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Authors and Affiliations

  1. Department of Chemistry, University of St. Andrews, KY16 9ST, St. Andrews, Fife, Scotland

    John R. Ball & Colin Thomson

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  1. John R. Ball
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  2. Colin Thomson
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Regional Workshop of the National Foundation for Cancer Research

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Ball, J.R., Thomson, C. Theoretical conformational studies on unsaturated aldehydes. II. 4-hydroxy-2-alkenals. J Biol Phys 14, 127–132 (1986). https://doi.org/10.1007/BF01857737

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  • DOI: https://doi.org/10.1007/BF01857737

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