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Journal Paper
A quantum assessment of the interaction between Si۱۲C۱۲, BSi۱۱C۱۲, BSi۱۲C۱۱, NSi۱۱C۱۲ and NSi۱۲C۱۱ nanocages with Glycine amino acid: A DFT, TD-DFT and AIM study
Authors:
Mahdi Rezaei Sameti
،
M. Barandisheh Naghibi
Year 1403
Publish place:
International Journal of New Chemistry Issue 1، Vol 11
Pages:
19
| Language: English
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Journal Paper
The AIM, RDG, NBO, Quantum and Structural Study of Adsorption of Phosgene Gas on the Surface of Pristine and Al, P Doped Ga12N12 Nano Cluster: A DFT Method
Authors:
P. Hosseini
،
Mahdi Rezaei Sameti
Year 1398
Publish place:
Chemical Methodologies Issue 5، Vol 3
Pages:
19
| Language: English
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Journal Paper
The theoretical study of adsorption of HCN gas on the surface of pristine, Ge, P and GeP-doped (4, 4) armchair BNNTs
Authors:
Mahdi Rezaei Sameti
،
Fateme Ataeifar
Year 1396
Publish place:
Iranian Chemical Communication Issue 3، Vol 6
Pages:
13
| Language: English
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Journal Paper
The AIM, NBO thermodynamic, and quantum study of the interaction nitramide molecule with pristine, B, As and B&As doped of AlNNTs
Authors:
Mahdi Rezaei Sameti
،
Sedigheh Azadi doureh
Year 1398
Publish place:
International Journal of New Chemistry Issue 2، Vol 6
Pages:
24
| Language: English
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Journal Paper
The computational study of adsorption of carbon monoxide on pristine and Ge-doped (6,0) zigzag models of BNNTs
Authors:
Mahdi Rezaei Sameti
،
Nina Alisafarzadeh
Year 1393
Publish place:
Iranian Chemical Communication Issue 3، Vol 2
Pages:
13
| Language: English
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