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PubPharm (69)
1
DFT Study of the Adsorption Behavior of Adenine on the Nano-$ SiO_{2} $ Cluster
enthalten in:
Silicon
| 2023
von
Meftah, N.
|
Keressa, A.
|
Belaidi, S.
| +3
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2
DFT Study of the Adsorption Behavior of Adenine on the Nano-$ SiO_{2} $ Cluster
enthalten in:
Silicon
| 2023
von
Meftah, N.
|
Keressa, A.
|
Belaidi, S.
| +3
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3
Adsorption behavior of hydrogen selenide gas on the surfaces of pristine and Ni-doped $ X_{12} $$ Y_{12} $ (X=Al, B and Y=N, P) nano-cages: a first-principles study
enthalten in:
Structural chemistry
| 2022
von
Das, A.
|
Dhali, P.
|
Oishi, A.
| +3
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4
Adsorption behavior of hydrogen selenide gas on the surfaces of pristine and Ni-doped $ X_{12} $$ Y_{12} $ (X=Al, B and Y=N, P) nano-cages: a first-principles study
enthalten in:
Structural chemistry
| 2022
von
Das, A.
|
Dhali, P.
|
Oishi, A.
| +3
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5
Adsorption behavior of hydrogen selenide gas on the surfaces of pristine and Ni-doped $ X_{12} %$ Y_{12} $ (X=Al, B and Y=N, P) nano-cages: a first-principles study
enthalten in:
Structural chemistry
| 2022
von
Das, A.
|
Dhali, P.
|
Oishi, A.
| +3
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6
The computational quantum mechanical study of sulfamide drug adsorption onto X12Y12 fullerene-like nanocages : detailed DFT and QTAIM investigations
enthalten in:
Journal of biomolecular structure & dynamics
| 2021
von
Padash, R.
|
Esfahani, M.
|
Rad, A.
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7
Potential of graphene oxide as a drug delivery system for Sumatriptan : a detailed density functional theory study
enthalten in:
Journal of biomolecular structure & dynamics
| 2021
von
Jafari, Z.
|
Baharfar, R.
|
Rad, A.
| +1
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8
DFT calculations towards the geometry optimization, electronic structure, infrared spectroscopy and UV-vis analyses of Favipiravir adsorption on the first-row transition metals doped fullerenes; a new strategy for COVID-19 therapy
enthalten in:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
| 2021
von
Rad, A.
|
Ardjmand, M.
|
Esfahani, M.
| +1
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9
Investigations of adsorption behavior and anti-inflammatory activity of glycine functionalized Al12N12 and Al12ON11 fullerene-like cages
enthalten in:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
| 2021
von
Aghaei, M.
|
Ramezanitaghartapeh, M.
|
Javan, M.
| +9
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10
Synthesis of Fe3O4chitosan@ZIF-8 towards removal of malachite green from aqueous solution : Theoretical and experimental studies
enthalten in:
International journal of biological macromolecules
| 2021
von
Zadvarzi, S.
|
Khavarpour, M.
|
Vahdat, S.
| +2
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The Korean journal of chemical engineering
7
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Australian journal of chemistry
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Thema
10
DFT
7
Adsorption
7
Density functional theory
7
Journal Article
7
QTAIM
4
Docking
4
Nanocage
4
Sulfur dioxide
3
Antitumor activity
3
Cd(II) ions preconcentration
3
Cellulose nanofibers
3
Chromone
3
Drug delivery systems
3
Encapsulation
3
Forward Osmosis
3
Fullerenes
3
H
3
Hydrophilic and Hydrophobic Sublayer
3
Metal organic frameworks
3
Nanocomposite
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Erscheinungszeitraum
19
2020-
49
2010-2019
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