Geometric, Electronic, and Optoelectronic Properties of Carbon-Based Polynuclear C3O[C(CN)2]2M3 (where M = Li, Na, and K) Clusters: A DFT Study
Bayach, Imene, Ahsin, Atazaz, Majid, Safi Ullah, Rashid, Umer, Sheikh, Nadeem S., Ayub, Khurshid
Published in Molecules (Basel, Switzerland) (15.02.2023)
Published in Molecules (Basel, Switzerland) (15.02.2023)
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Journal Article
Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts
Bayach, Imene, Sarfaraz, Sehrish, Sheikh, Nadeem S, Alamer, Kawther, Almutlaq, Nadiah, Ayub, Khurshid
Published in Materials (31.03.2023)
Published in Materials (31.03.2023)
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Journal Article
Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes
Fabre, Gabin, Bayach, Imene, Berka, Karel, Paloncýová, Markéta, Starok, Marcelina, Rossi, Claire, Duroux, Jean-Luc, Otyepka, Michal, Trouillas, Patrick
Published in Chemical communications (Cambridge, England) (04.05.2015)
Published in Chemical communications (Cambridge, England) (04.05.2015)
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Journal Article
Rational Design, Stabilities and Nonlinear Optical Properties of Non-Conventional Transition Metalides; New Entry into Nonlinear Optical Materials
Alkhalifah, Mohammed A, Sheikh, Nadeem S, Al-Faiyz, Yasair S S, Bayach, Imene, Ludwig, Ralf, Ayub, Khurshid
Published in Materials (28.04.2023)
Published in Materials (28.04.2023)
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Journal Article
Exploring the Sensing Potential of g‑C3N4 versus Li/g‑C3N4 Nanoflakes toward Hazardous Organic Volatiles: A DFT Simulation Study
Asif, Misbah, Kosar, Naveen, Sajid, Hasnain, Qureshi, Sana, Gilani, Mazhar Amjad, Ayub, Khurshid, Arshad, Muhammad, Imran, Muhammad, Hamid, Malai Haniti S. A., Bayach, Imene, Sheikh, Nadeem S., Mahmood, Tariq
Published in ACS omega (23.01.2024)
Published in ACS omega (23.01.2024)
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Journal Article
X-ray Diffraction, Electronic Circular Dichroism, and Quantum Mechanics (TD-DFT) Investigations on 4 Dehydroxyaltersolanol A, a Secondary Metabolite from Endophytic Fungus Nigrospora oryzae
Fatimah Bebe Mohamed Hussain, Sadia Sultan, Imene Bayach, Humera Naz, Gurmeet Kaur Surindar Singh, Syed Adnan Ali Shah, Kamran Ashraf, Fatimah Saleem, Jean-Frédéric Faizal Weber
Published in Research journal of pharmacognosy (01.01.2024)
Published in Research journal of pharmacognosy (01.01.2024)
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Journal Article
Metallofullerenes as Robust Single-Atom Catalysts for Adsorption and Dissociation of Hydrogen Molecules: A Density Functional Study
Sarfaraz, Sehrish, Yar, Muhammad, Hussain, Ajaz, Lakhani, Ahmed, Gulzar, Adnan, Ans, Muhammad, Rashid, Umer, Hussain, Masroor, Muhammad, Shabbir, Bayach, Imene, Sheikh, Nadeem S., Ayub, Khurshid
Published in ACS omega (03.10.2023)
Published in ACS omega (03.10.2023)
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Journal Article
Understanding the stabilities and non-linear optical response of transition metal endo-doped B 12 N 12 and B 12 P 12 nanocages; a density functional theory investigation
Asif, Misbah, Abdul Hamid, Malai Haniti Sheikh, Bayach, Imene, Sheikh, Nadeem S, Ayub, Khurshid
Published in Physica scripta (01.10.2024)
Published in Physica scripta (01.10.2024)
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Journal Article
Probing the catalytic activity of first-row transition metal doped C20 fullerene as remarkable HER electrocatalysts: A DFT study
Sarfaraz, Sehrish, Yar, Muhammad, Lakhani, Ahmed, Sheikh, Nadeem S., Bayach, Imene, Ayub, Khurshid
Published in Materials science in semiconductor processing (15.11.2023)
Published in Materials science in semiconductor processing (15.11.2023)
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Journal Article
Understanding the stabilities and non-linear optical response of transition metal endo-doped B12N12 and B12P12 nanocages; a density functional theory investigation
Asif, Misbah, Abdul Hamid, Malai Haniti Sheikh, Bayach, Imene, Sheikh, Nadeem S, Ayub, Khurshid
Published in Physica scripta (01.10.2024)
Published in Physica scripta (01.10.2024)
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Journal Article