density functional theory (DFT) methods.

NMR and Thermodynamic Studies of Pb2+ Removal by α-Keratin Nano-Structure in the Environment

Leila Mahdavian · Annual Research & Review in Biology · 2014

Aims: In this study is simulated removal of lead ions by human hair. Human hair that has formed of keratin and 14% of keratin is cystine. The approached of Pb2+ to cystine is simulated and calculated by Gaussian program package. Study Design: Density functional methods use for th...