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Keywords = نظریه تابعی چگالی
Number of Articles: 5
Study of carbon dioxide adsorption on H-saturated porous graphene sheet and its separation from nitrogen using functional density theory and reactive molecular dynamics

Volume 17, Issue 63, July 2022, Pages 23-38

10.22075/chem.2021.24019.1998

Zahra Negaresh; Mostafa Fazli

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  • PDF 816.7 K

Photocatalytic degradation and adsorption of Rhodamin B dye on CdSe and CdS nanoparticles

Volume 15, Issue 56, September 2020, Pages 23-38

10.22075/chem.2019.17813.1638

Mehdi Irani; Zohreh Abdollahi; Elham Sadat Fatemi; sajjad mohebbi

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  • PDF 1.05 M

Adsorption of parathion and chlorpyrifos organophosphoros pesticides with the iron doped boron nitride nanotubes; A theoretical study

Volume 12, Issue 44, September 2017, Pages 215-232

10.22075/chem.2017.2390

davood farmanzadeh; hamid rezaeinejad

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  • PDF 1.22 M

Computational study on regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles using quantum chemistry methods

Volume 12, Issue 43, June 2017, Pages 103-120

10.22075/chem.2017.2365

nazila asem; tayebeh hosseinnejad

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  • PDF 1.06 M

Study of stability of small CdnTen clusters (n=1-10)

Volume 10, Issue 35, July 2015, Pages 55-68

10.22075/chem.2017.711

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  • PDF 714.51 K

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