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Complexes of 4-substituted phenolates with HF and HCN: Energy decomposition and electronic structure analyses of hydrogen bonding.

Halina SzatylowiczTadeusz Marek KrygowskiCélia Fonseca GuerraF. Matthias Bickelhaupt
Published in: J. Comput. Chem. (2013)
Keyphrases
  • high frequency
  • data structure
  • steady state
  • hierarchical structure
  • power consumption
  • structural information
  • energy minimization
  • structural properties
  • decomposition method
  • decomposition algorithm
  • energy landscape