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Daouli, Ayoub
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1

Incorporating solvent effects in DFT: insights from cation ..:

Ta, An T. ; Daouli, Ayoub ; Ullberg, R. Seaton...
Physical Chemistry Chemical Physics.  26 (2024)  20 - p. 14561-14572 , 2024
Link: https://doi.org/10.1039/..
 
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2

Ultrarapid and Sustainable Synthesis of Trimetallic-Based M..:

Boukayouht, Khaireddin ; Bazzi, Loubna ; Daouli, Ayoub..
ACS Applied Materials & Interfaces.  16 (2024)  2 - p. 2497-2508 , 2024
Link: https://doi.org/10.1021/..
 
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3

Detection of Perfluorooctanoic and Perfluorodecanoic Acids ..:

Shanbhag, Mahesh M. ; Shetti, Nagaraj P. ; Daouli, Ayoub...
Langmuir.  , 2024
Link: https://doi.org/10.1021/..
 
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4

Microstructure, adsorption site energetics, and formation e..:

Birkner, Nancy ; Proust, Vanessa ; Schaeperkoetter, Joe...
Microporous and Mesoporous Materials.  373 (2024)  - p. 113110 , 2024
Link: https://doi.org/10.1016/..
 
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5

Advanced Design of Metal Nanoclusters and Single Atoms Embe..:

Quílez‐Bermejo, Javier ; García‐Dalí, Sergio ; Daouli, Ayoub...
Advanced Functional Materials.  33 (2023)  21 - p. , 2023
Link: https://doi.org/10.1002/..
 
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6

Interplay between alkali-metal cations and silanol sites in..:

Ghojavand, Sajjad ; Dib, Eddy ; Rey, Jérôme...
Communications Chemistry.  6 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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7

Novel 2D sulfur-doped V2O5 flakes and their applications in..:

Young Jang, Won ; Venkata Reddy, Ch. ; Daouli, Ayoub...
Chemical Engineering Journal.  461 (2023)  - p. 141935 , 2023
Link: https://doi.org/10.1016/..
 
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8

Ab Initio Screening of Divalent Cations for CH4, CO2, H2, a..:

Daouli, Ayoub ; Rey, Jérôme ; Lahrar, El Hassane...
Langmuir.  , 2023
Link: https://doi.org/10.1021/..
 
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9

A systematic DFT screening of cationic faujasite-type zeoli..:

Karamanis, Ioannis ; Daouli, Ayoub ; Monnier, Hubert...
Molecular Systems Design & Engineering.  8 (2023)  9 - p. 1165-1181 , 2023
Link: https://doi.org/10.1039/..
 
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10

Potential of nanostructured carbon materials for iodine det..:

Zhour, Kazem ; Daouli, Ayoub ; Postnikov, Andrei..
Physical Chemistry Chemical Physics.  25 (2023)  39 - p. 26461-26474 , 2023
Link: https://doi.org/10.1039/..
 
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11

Unravelling the adsorption mechanism of phenol on zinc oxid..:

Dehmani, Younes ; Lainé, Juliette ; Daouli, Ayoub...
Chemical Engineering Journal.  452 (2023)  - p. 139171 , 2023
Link: https://doi.org/10.1016/..
 
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12

Understanding the thermodynamic, dynamic, bonding, and elec..:

Ouahrani, Tarik ; Daouli, Ayoub ; Badawi, Michael...
Dalton Transactions.  51 (2022)  25 - p. 9689-9698 , 2022
Link: https://doi.org/10.1039/..
 
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13

Access to sodalite cages in ion-exchanged nanosized FAU zeo..:

Dib, Eddy ; Rey, Jérôme ; Vicente, Aurelie...
Microporous and Mesoporous Materials.  338 (2022)  - p. 111965 , 2022
Link: https://doi.org/10.1016/..
 
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14

Impact of Sn doping on the hydrogen detection characteristi..:

El khalidi, Zahira ; Daouli, Ayoub ; Jabraoui, Hicham...
Applied Surface Science.  574 (2022)  - p. 151585 , 2022
Link: https://doi.org/10.1016/..
 
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15

Computational Exploration of a Metal(II) Catecholate-Functi..:

Gopalsamy, Karuppasamy ; Wahiduzzaman, Mohammad ; Daouli, Ayoub..
ACS Applied Nano Materials.  5 (2022)  10 - p. 15123-15132 , 2022
Link: https://doi.org/10.1021/..
 
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