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Keyword
- DFT1
- DFT-MD1
- VASP1
- density functional theory1
- energy minimization1
- fracking1
- hydraulic fracturing[remove]1
- illite1
- interaction energy[remove]1
- interfacial energy1
- interfacial tension1
- marcellus shale1
- molecular dynamics[remove]1
- molecular modeling1
- scCO21
- supercritical CO2[remove]1