Theoretical study of orientations of biofunctionalized thiolates on Au(111) surface
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- Published
- 2012-01-01
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- 13
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- https://api.semanticscholar.org/CorpusID:92896737
References
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- From ultrasoft pseudopotentials to the projector augmented-wave method
- Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
- Understanding molecular simulation: from algorithms to applications
- Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols
- Molecular mechanics. The MM3 force field for hydrocarbons. 1
- Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements
- Structure evolution of aromatic-derivatized thiol monolayers on evaporated gold
- Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.
- Density-functional theory of atoms and molecules
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