Density functional theory study of doped coronene and circumcoronene as anode materials in lithium-ion batteries von Geetha Sadasivan Nair, Remya, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Conformational transitions of a weak polyampholyte von Narayanan Nair, Arun Kumar, Uyaver, Sahin, Sun, Shuyu

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Adsorption and Diffusion of Carbon Dioxide, Methane, and Their Mixture in Carbon Nanotubes in the Presence of Water von Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Molecular Dynamics Simulation Study of Carbon Dioxide, Methane, and Their Mixture in the Presence of Brine von Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Adsorption of carbon dioxide, methane, and their mixture by montmorillonite in the presence of water von Kadoura, Ahmad, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Molecular Dynamics Simulations of Carbon Dioxide, Methane, and Their Mixture in Montmorillonite Clay Hydrates von Kadoura, Ahmad, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Molecular Simulation Study of Montmorillonite in Contact with Water von Li, Yiteng, Narayanan Nair, Arun Kumar, Kadoura, Ahmad, Yang, Yafan, Sun, Shuyu

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Adsorption and Diffusion of Methane and Carbon Dioxide in Amorphous Regions of Cross-Linked Polyethylene: A Molecular Simulation Study von Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Sorption and Diffusion of Methane, Carbon Dioxide, and Their Mixture in Amorphous Polyethylene at High Pressures and Temperatures von Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Sorption and Diffusion of Methane and Carbon Dioxide in Amorphous Poly(alkyl acrylates): A Molecular Simulation Study von Yang, Yafan, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Adsorption of Gases on Fullerene-like X12Y12 (X = Be, Mg, Ca, B, Al, Ga, C; Y = C, Si, N, P, O) Nanocages von Geetha Sadasivan Nair, Remya, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Molecular Simulation Study of Montmorillonite in Contact with Ethanol von Cui, Ronghao, Narayanan Nair, Arun Kumar, Yang, Yafan, Sun, Shuyu

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Doped hexa- peri -hexabenzocoronene as anode materials for lithium- and magnesium-ion batteries von Geetha Sadasivan Nair, Remya, Narayanan Nair, Arun Kumar, Yan, Bicheng, Sun, Shuyu

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Molecular Simulation Study of Montmorillonite in Contact with Variably Wet Supercritical Carbon Dioxide von Kadoura, Ahmad, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Interfacial properties of the brine + carbon dioxide + oil + silica system von Yang, Yafan, Narayanan Nair, Arun Kumar, Lau, Denvid, Sun, Shuyu

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Adsorption of gases on B12N12 and Al12N12 nanocages von Remya Geetha Sadasivan Nair, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Adsorption of hazardous gases on Cyclo[18]carbon and its analogues von Geetha Sadasivan Nair, Remya, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Interfacial properties of the hexane + carbon dioxide + water system in the presence of hydrophilic silica von Yang, Yafan, Che Ruslan, Mohd Fuad Anwari, Narayanan Nair, Arun Kumar, Qiao, Rui, Sun, Shuyu

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Adsorption of drugs on B12N12 and Al12N12 nanocages von Remya Geetha Sadasivan Nair, Narayanan Nair, Arun Kumar, Sun, Shuyu

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Bulk and Interfacial Properties of Brine or Alkane in the Presence of Carbon Dioxide, Methane, and Their Mixture von Narayanan Nair, Arun Kumar, Anwari Che Ruslan, Mohd Fuad, Ramirez Hincapie, Marcia Luna, Sun, Shuyu

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