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

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Conformational transitions of a weak polyampholyte by 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 by 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 by 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 by Kadoura, Ahmad, Narayanan Nair, Arun Kumar, Sun, Shuyu

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

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

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

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

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

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

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Adsorption of gases on B12N12 and Al12N12 nanocages by Remya Geetha Sadasivan Nair, 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 by Yang, Yafan, Che Ruslan, Mohd Fuad Anwari, Narayanan Nair, Arun Kumar, Qiao, Rui, Sun, Shuyu

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Adsorption of hazardous gases on Cyclo[18]carbon and its analogues by Geetha Sadasivan Nair, Remya, 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 by Narayanan Nair, Arun Kumar, Anwari Che Ruslan, Mohd Fuad, Ramirez Hincapie, Marcia Luna, Sun, Shuyu

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Molecular Dynamics Modeling of Kaolinite Particle Associations by Volkova, Evgeniya, Narayanan Nair, Arun Kumar, Engelbrecht, Johann, Schwingenschlögl, Udo, Sun, Shuyu, Stenchikov, Georgiy

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