Concepedia
Chemical Physics Letters · 2007 · 32 citations · 26 references
Materials ScienceCurvature EffectsEngineeringCarbon-based MaterialSurface EnergyMechanical EngineeringGrapheneSolid MechanicsMechanics Of Materials
26
Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon
D. Porezag, Thomas Frauenheim, Th. Köhler et al. · Physical review. B, Condensed matter · 1995 · 2.2K citations
Molecular Solid, Engineering, Physics +15
The performance of a family of density functional methods
Benny G. Johnson, Peter M. W. Gill, John A. Pople · The Journal of Chemical Physics · 1993 · 1.9K citations
Numerical Analysis, Dft Methods, Engineering +18
Density functional Gaussian-type-orbital approach to molecular geometries, vibrations, and reaction energies
Jan Andzelm, E. Wimmer · The Journal of Chemical Physics · 1992 · 960 citations
Engineering, Reaction Energies, Physics +15
Superhard and Elastic Carbon Nitride Thin Films Having Fullerenelike Microstructure
H. Sjöström, S. Stafström, M. Boman et al. · Physical Review Letters · 1995 · 666 citations
Materials Science, Graphitelike Microstructure, Nanosheet +12
Structure, stability, and fragmentation of small carbon clusters
Krishnan Raghavachari, J. Stephen Binkley · The Journal of Chemical Physics · 1987 · 634 citations
Cluster Science, Polarization Functions, Carbon Sequestration +13