![Interaction of different types of nanocages (Al
<sub/>12</sub>
N
<sub/>12</sub>
, Al
<sub/>12</sub>
P
<sub/>12</sub>
, B
<sub/>12</sub>
N
<sub/>12</sub>
, Be
<sub/>12</sub>
O
<sub/>12</sub>
, Mg
<sub/>12</sub>
O
<sub/>12</sub>
, Si
<sub/>12</sub>
C
<sub/>12</sub>
and C
<sub/>24</sub>
) with HCN and ClCN: DFT, TD-DFT, QTAIM, and NBO calculations]()
Interaction of different types of nanocages (Al
<sub/>12</sub>
N
<sub/>12</sub>
, Al
<sub/>12</sub>
P
<sub/>12</sub>
, B
<sub/>12</sub>
N
<sub/>12</sub>
, Be
<sub/>12</sub>
O
<sub/>12</sub>
, Mg
<sub/>12</sub>
O
<sub/>12</sub>
, Si
<sub/>12</sub>
C
<sub/>12</sub>
and C
<sub/>24</sub>
) with HCN and ClCN: DFT, TD-DFT, QTAIM, and NBO calculationsFarrokhpour, Hossein; Jouypazadeh, Hamidreza; Vakili Sohroforouzani, Shirin · Molecular Physics · 2019