π-Stacked polyphenolic dimers: A case study using dispersion-corrected methods von Bayach, I., Sancho-García, J.C., Di Meo, F., Weber, J.-F.F., Trouillas, P.

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Molecular Insights on Oligostilbenoid Biosynthesis von Bayach, I, Sancho, Garcia J.C, Di, Meo F, Nurhuda, M, Weber, J.F.F, Trouillas, P

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Proton permeation and selective separation of hydrogen isotopes through fullerene nanocages (X12Y12): A DFT insights von Asif, Misbah, Bayach, Imene, Sheikh, Nadeem S., Ayub, Khurshid

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Geometric, Electronic, and Optoelectronic Properties of Carbon-Based Polynuclear C3O[C(CN)2]2M3 (where M = Li, Na, and K) Clusters: A DFT Study von Bayach, Imene, Ahsin, Atazaz, Majid, Safi Ullah, Rashid, Umer, Sheikh, Nadeem S., Ayub, Khurshid

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Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes von Fabre, Gabin, Bayach, Imene, Berka, Karel, Paloncýová, Markéta, Starok, Marcelina, Rossi, Claire, Duroux, Jean-Luc, Otyepka, Michal, Trouillas, Patrick

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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 von Asif, Misbah, Abdul Hamid, Malai Haniti Sheikh, Bayach, Imene, Sheikh, Nadeem S, Ayub, Khurshid

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Probing the catalytic activity of first-row transition metal doped C20 fullerene as remarkable HER electrocatalysts: A DFT study von Sarfaraz, Sehrish, Yar, Muhammad, Lakhani, Ahmed, Sheikh, Nadeem S., Bayach, Imene, Ayub, Khurshid

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Covalent Organic Framework (C6N6) as a Drug Delivery Platform for Fluorouracil to Treat Cancerous Cells: A DFT Study von Alkhalifah, Mohammed A, Yar, Muhammad, Bayach, Imene, Sheikh, Nadeem S, Ayub, Khurshid

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Hydrogen Dissociation Reaction on First-Row Transition Metal Doped Nanobelts von Bayach, Imene, Sarfaraz, Sehrish, Sheikh, Nadeem S, Alamer, Kawther, Almutlaq, Nadiah, Ayub, Khurshid

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Geometric, Electronic, and Optoelectronic Properties of Carbon-Based Polynuclear C[sub.3]O[C Clusters: A DFT Study von Bayach, Imene, Ahsin, Atazaz, Majid, Safi Ullah, Rashid, Umer, Sheikh, Nadeem S, Ayub, Khurshid

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Covalent Triazine Framework C6N6 as an Electrochemical Sensor for Hydrogen-Containing Industrial Pollutants. A DFT Study von Hammud, Hassan H., Yar, Muhammad, Bayach, Imene, Ayub, Khurshid

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A synergistic synthetic and computational insights towards anomerization of N-nitro pyrimidine nucleosides using fluorinating agents von Khalil, Ahmed, Bayach, Imene, Mathé, Christophe

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DFT study on the nature of interaction of ionic liquids with self-assembled belt[14]pyridine von Ahsan, Annum, Sheikh Abdul Hamid, Malai Haniti, Bayach, Imene, Sheikh, Nadeem S., Ashraf, Muhammad Umair, Yar, Muhammad, Ayub, Khurshid

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Tuning Optical Properties of Chalcone Derivatives: A Computational Study von Bayach, Imene, D’Aleó, Anthony, Trouillas, Patrick

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A novel pectic polysaccharide-based hydrogel derived from okra (Abelmoschus esculentusL. Moench) for chronic diabetic wound healing von Maalej, Hana, Maalej, Amina, Bayach, Asma, Zykwinska, Agata, Colliec-Jouault, Sylvia, Sinquin, Corinne, Marchand, Laetitia, Ktari, Naourez, Bardaa, Sana, Ben Salah, Riadh, Chamkha, Mohamed, Boufi, Sami, Nasri, Moncef

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Understanding the stabilities and non-linear optical response of transition metal endo-doped B12N12 and B12P12 nanocages; a density functional theory investigation von Asif, Misbah, Abdul Hamid, Malai Haniti Sheikh, Bayach, Imene, Sheikh, Nadeem S, Ayub, Khurshid

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Transition Metal-Doped C20 Fullerene-Based Single-Atom Catalysts with High Catalytic Activity for Hydrogen Dissociation Reaction von Sarfaraz, Sehrish, Yar, Muhammad, Sheikh, Nadeem S., Bayach, Imene, Ayub, Khurshid

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Covalent Triazine Framework C 6 N 6 as an Electrochemical Sensor for Hydrogen-Containing Industrial Pollutants. A DFT Study von Hammud, Hassan H, Yar, Muhammad, Bayach, Imene, Ayub, Khurshid

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Covalent Triazine Framework C[sub.6]N[sub.6] as an Electrochemical Sensor for Hydrogen-Containing Industrial Pollutants. A DFT Study von Hammud, Hassan H, Yar, Muhammad, Bayach, Imene, Ayub, Khurshid

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Quantum Chemical Investigations on C14C10-Branched-Chain Glucoside Isomers Towards Understanding Self-Assembly von Imene Bayach, Teng Yong Tan, Vijay Manickam Achari, Rauzah Hashim

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