Electrostatic Potential PT DFT - Search Images

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Density functional theory (DFT) calculations. A) Electrostatic ...
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The DFT optimized structures and molecular electrostatic potential ...
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Comparison of DFT-calculated electrostatic potential maps and selected ...
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Comparison of DFT-calculated electrostatic p…

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Electrostatic potential ESP calculated by DFT B3LYP / 6-311 G (d, p ...
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Electrostatic potential computed within DFT for the Si/Tc slab (blue ...
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Summary of the DFT calculations. (a, b) Electr…

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