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Keywords = DFT
Number of Articles: 4
Theoretical Investigation of Amantadine Adsorption on Sc-, Ti-, and Zn-Boron Nitride Nanosheets: DFT, NBO, and QTAIM

Volume 8, Issue 2, April 2023, Pages 106-116

10.22036/ncr.2023.02.003

Ebrahim Saedi khosroshahi; Ladan Edjlali; Farnaz Behmagham; Mirzaagha Babazadeh; Elnaz Ghasemi

  • View Article
  • PDF 1.73 M

Theoretical investigation of fullerene nano carrier anti-cancer drug delivery of Azacitidine

Volume 8, Issue 1, January 2023, Pages 40-49

10.22036/ncr.2023.01.004

Niloofar Jafari; Sayed Ali Ahmadi; Razieh Razavi

  • View Article
  • PDF 983.73 K

Adsorption of Bupropion on C60 Nanocage: Thermodynamic and Electronic Properties

Volume 7, Issue 1, January 2022, Pages 22-27

10.22036/ncr.2022.01.004

Zhila NazarAli; Sayed Ali Ahmadi; Dadkhoda Ghazanfari; Enayatollah Sheikhhosseini

  • View Article
  • PDF 683.82 K

Triclosan Adsorption on C60 Nanocage: NBO, Thermodynamic, Structural and Electronic Properties

Volume 7, Issue 1, January 2022, Pages 36-43

10.22036/ncr.2022.01.006

Razieh Razavi

  • View Article
  • PDF 874.44 K

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