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An article titled "Improving the adsorption of sulphur trioxide on TiO2 anatase nanoparticles by N-doping: A DFT study” was accepted for publication in journal of theoretical and computational chemistry"
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2015 Monday 20 Apr
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An article titled “ The Quantum Transport of Pyrene and its Silicon-Dopped Variant: A DFT-NEGF Approach” was accepted for publication in Journal of computational electronics ((J Comput Electron))
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2015 Tuesday 14 Apr
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An article titled "Multi Switching Behavior of Hydrogen Passivated Silicene as Molecular Junction: A
DFT-NEGF Approach” was published in journal of theoretical and computational chemistry"
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2015 Thursday 09 Apr
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An article titled "The adsorption of sulfur dioxide on TiO2 anatase nanoparticles: A density functional theory study” was accepted for publication in "Canadian Journal of Chemistry, NRC research press"
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2015 Wednesday 08 Apr
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An article titled “Molecular Interactions in the Systems Composed of Curcumin, Water and Single-Walled Carbon Nanotube: A Molecular Dynamics Simulation Study” was published in journal of Computational and Theoretical Nanoscience
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2015 Thursday 22 Jan
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