Boron Nitride sheet as a novel surface for medical adsorption and drug synthesis
作者: M. Zawari
刊名: Oriental Journal of Chemistry, 2015, Vol.31 (1)
来源数据库: Material Science Research India
DOI: 10.13005/ojc/310103
关键词: Boron NitrideAdsorptionDFT studies
原始语种摘要: In this study we investigate Adenine, Guanine, Cytosine and Thymine moleculesadsorption on Boron Nitride by Density-functional theory (DFT). For this purpose we calculate adsorption energy (∆Ead), HOMO- LUMO energy gap(∆Eg), voltage difference (∆V) and (∆q) of Adenine, Guanine, Cytosine and Thymine molecules on different adsorption distances on Boron Nitride layer and compare them.
全文获取路径: 材料科学研究所  (合作)
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关键词翻译
关键词翻译
  • novel 长篇小说
  • adsorption 吸附
  • functional 功能的
  • investigate 
  • synthesis 合成
  • calculate 计算
  • energy 能量
  • compare 比较
  • surface 
  • different 不相同的