AM1 treatment of certain thyroid hormones


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.588, pp.113-120, 2002 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 588
  • Publication Date: 2002
  • Doi Number: 10.1016/s0166-1280(02)00148-3
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.113-120

Abstract

Some thyroid hormones, T-4, T-3 and reverse T-3 are considered for Austin model 1 restricted Hartree-Fock type semi-empirical molecular orbital calculations. The zwitterionic form in every case was found to be less stable and less exothermic as compared to the nonionic form of them. (C) 2002 Elsevier Science B.V. All rights reserved.