پديدآورندگان :
Ghiaisi Mina Department of Chemistry, Faculty of Physics Chemistry, Alzahra University,Vanak, Tehran, Iran. , Bavafa Shadi mrsshadib@yahoo.com Department of Chemistry, Faculty of Physics Chemistry, Alzahra University,Vanak, Tehran, Iran.; , Zahedi Mansour Department of Chemistry, Faculty of Physics Chemistry, Alzahra University,Vanak, Tehran, Iran.
كليدواژه :
Au nanoparticle , arginine amino acid , density functional theory , interaction
چكيده فارسي :
Bonding of Au nanoparticle with arginine amino acid has been studied using density functional theory. The mixed basis set was used in this study denoted by 6-311++G**ULanl2DZ to research the lowest energy geometry for the studied complexes. The results of this study demonstrate that interaction between arginine and Au nanoparticle is demonstrate by two factors including: 1) the anchoring N-Au and O-Au bonds and 2) the nonconventional N-H…Au and O-H hydrogen bonds.
