Theoretica chimica acta

, Volume 23, Issue 2, pp 208–210 | Cite as

Extended Hückel calculations on the bonding in oxyhaemoglobin

  • Margaret P. Halton
Relationes

Abstract

Extended Hückel calculations are performed for two theoretical models of oxygenated iron porphyrin. In both cases the Pauling geometry is predicted to have the lowest energy and hence to simulate the bonding in oxyhaemoglobin.

Keywords

Oxygenate Iron Physical Chemistry Inorganic Chemistry Organic Chemistry 

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Copyright information

© Springer-Verlag 1971

Authors and Affiliations

  • Margaret P. Halton
    • 1
  1. 1.Chemistry DepartmentVictoria University of WellingtonNew Zealand

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