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Systematic investigation on the geometric dependence of the calculated nuclear magnetic shielding constants.

Ying ZhangXin XuYijing Yan
Published in: J. Comput. Chem. (2008)
Keyphrases
  • magnetic field
  • search algorithm
  • qualitative and quantitative
  • computer vision
  • geometric information
  • three dimensional
  • high order
  • geometric constraints
  • geometric shapes
  • information geometry
  • geometric reasoning