Interaction of different types of nanocages (Al12N12, Al12P12, B12N12, Be12O12, Mg12O12, Si12C12 and C-24) with HCN and ClCN: DFT, TD-DFT, QTAIM, and NBO calculations

Farrokhpour, H; Jouypazadeh, H; Sohroforouzani, SV

Farrokhpour, H; Jouypazadeh, H (reprint author), Isfahan Univ Technol, Dept Chem, Esfahan 8415683111, Iran.

MOLECULAR PHYSICS, 0; ():

Abstract

In this work, the ability of different types of nanocages including Al12N12, Al12P12, Be12O12, B12N12, Si12C12, Mg12O12 and C-24 for the adsorption an......

Full Text Link


Links

期刊讨论 | 中国SCI论文 | 期刊主页 | 投稿经验 | 杂志官网 | 投稿链接 | 作者需知 | PMC链接 | Pubmed全文检索