Carbon · 2019 · 45 citations · 40 references
Natural SciencesChemistryMaterials ScienceMaterials ChemistryOrganic ChemistryPhysical ChemistryAb Initio MethodsAnomeric ConfigurationMolecular Orbital TheoryMolecular SymmetryOrganic Electronic MaterialsOrganic SemiconductorsC - H Bond FunctionalizationSmall-molecule Organic Semiconductors
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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
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
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Roll-to-roll production of 30-inch graphene films for transparent electrodes
Sukang Bae, Hyeongkeun Kim, Youngbin Lee et al. · Nature Nanotechnology · 2010 · 8.1K citations · Full text
Natural Sciences, Materials Engineering, Materials Science +15