articleRSC AdvancesJan 1, 2016BRONZE OA

Introducing DDEC6 atomic population analysis: part 2. Computed results for a wide range of periodic and nonperiodic materials

NGNidia Gabaldon LimasTAThomas A. Manz

New Mexico State University · Lasen (United States)

Indexed incrossrefdoaj

Abstract

DDEC6 atomic population analysis gives excellent performance for small and large molecules, porous solids, dense solids, solid surfaces, organometallic complexes, nanoclusters, and magnetic materials.

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  • Range (aeronautics)
  • Population
  • Materials science
  • Physics
  • Composite material
  • Demography
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