AM1 treatment of certain thyroid hormones

Turker L.

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


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.