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The top documents tagged [true electron density]
Interaction of small molecules with grapheen supported on metal substrates: A first principles study
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DFT Calculations Shaun Swanson. The Game Plan DFT Basics Job File Structure Sample Structure: Solid Mg Performing ‘scf’ Calculations on Solid Mg Converging
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Jahn–Teller Distortion in Clusters and Lithiated Manganese Oxides R. Prasad Physics Department, IIT Kanpur Outline 1.Jahn–Teller Effect 2.Clusters 3.Lithiated
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