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Plane-wave density functional theory investigation of adsorption of 2, 4, 6-trinitrotoluene on al-hydroxylated (0001) surface of (4 × 4) α-alumina.

Manoj K. ShuklaFrances Hill
Published in: J. Comput. Chem. (2014)
Keyphrases
  • three dimensional
  • normal vectors
  • computational model
  • theoretical framework
  • curved surfaces
  • smooth surfaces
  • object recognition
  • gaussian curvature
  • virtual camera
  • image planes
  • bilateral symmetry