Nature Chemistry · 2022 · 149 citations · 62 references
Natural SciencesMaterials SciencePhysicsNanomaterialsNanotechnologySurface ScienceNanomaterials SynthesisNanoparticle InterfacesNanoparticle SurfacesNanoparticle SynthesisNanostructured SurfacesSurface PhysicsGold NanostructuresNanocrystal Growth MechanismsNanocrystal SynthesisNanocrystalsNanoparticle Surface ChemistryNanoparticlesNoble Metal Nanostructures
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
VMD: Visual molecular dynamics
William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations
Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17