Advanced computational modelling for biofuel catalyst optimization: enhancing beta zeolite acidity for oleic acid upgrading von AlAreeqi, Seba, Bahamon, Daniel, Alkhatib, Ismail I.I., Polychronopoulou, Kyriaki, Vega, Lourdes F.

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Insights into the thermal stability and conversion of carbon-based materials by using ReaxFF reactive force field: Recent advances and future directions von AlAreeqi, Seba, Bahamon, Daniel, Polychronopoulou, Kyriaki, Vega, Lourdes F.

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Understanding the relationship between the structural properties of three corrosion inhibitors and their surface protectiveness ability in different environments von Alareeqi, Seba, Bahamon, Daniel, Nogueira, Ricardo P., Vega, Lourdes F.

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Understanding the role of Ni-based single-atom alloys on the selective hydrodeoxygenation of bio-oils von AlAreeqi, Seba, Bahamon, Daniel, Polychronopoulou, Kyriaki, Vega, Lourdes F.

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Decoupling the Chemical and Mechanical Strain Effect on Steering the CO2 Activation over CeO2‑Based Oxides: An Experimental and DFT Approach von Polychronopoulou, Kyriaki, AlKhoori, Sara, AlBedwawi, Shaima, Alareeqi, Seba, Hussien, Aseel G. S., Vasiliades, Michalis A., Efstathiou, Angelos M., Petallidou, Klito C., Singh, Nirpendra, Anjum, Dalaver H., Vega, Lourdes F., Baker, Mark A.

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Decoupling the Chemical and Mechanical Strain Effect on Steering the CO 2 Activation over CeO 2 -Based Oxides: An Experimental and DFT Approach von Polychronopoulou, Kyriaki, AlKhoori, Sara, AlBedwawi, Shaima, Alareeqi, Seba, Hussien, Aseel G S, Vasiliades, Michalis A, Efstathiou, Angelos M, Petallidou, Klito C, Singh, Nirpendra, Anjum, Dalaver H, Vega, Lourdes F, Baker, Mark A

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Steering palm oil hydrodeoxygenation towards biofuel production: An experimental and theoretical approach to unveil periodic trends von Alkhoori, Sara, Alareeqi, Seba, Dabbawala, Aasif A., Siakavelas, Georgios, Latsiou, Angeliki, Anjum, Dalaver H., Harfouche, Messaoud, Vasiliades, Michalis A., Hinder, Steven J., Baker, Mark A., Khaleel, Maryam, Bahamon, Daniel, Vega, Lourdes F., Goula, Maria A., Efstathiou, Angelos M., Polychronopoulou, Kyriaki

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Rational design of stable bimetallic and trimetallic nickel-based single-atom alloys for acetic acid dehydrogenation von Alareeqi, Seba, Ganley, Connor, Bahamon, Daniel, Polychronopoulou, Kyriaki, Clancy, Paulette, Vega, Lourdes F.

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