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Interaction of different types of nanocages (Al12N12, Al12P12, B12N12, Be12O12, Mg12O12, Si12C12 and C24) with HCN and ClCN: DFT, TD-DFT, QTAIM, and NBO calculations

H Farrokhpour, H Jouypazadeh, S Vakili Sohroforouzani

Molecular Physics, 1-12

 

https://www.tandfonline.com/doi/abs/10.1080/00268976.2019.1626506

Publications
Month/Season: 
June
Year: 
2020

تحت نظارت وف ایرانی

Interaction of different types of nanocages (Al12N12, Al12P12, B12N12, Be12O12, Mg12O12, Si12C12 and C24) with HCN and ClCN: DFT, TD-DFT, QTAIM, and NBO calculations | Hossein Farrokhpour

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تحت نظارت وف ایرانی