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Benchmark ab initio proton affinity and gas-phase basicity of α-alanine based on coupled-cluster theory and statistical mechanics.

Attila Á. DékányGábor Czakó
Published in: J. Comput. Chem. (2022)
Keyphrases
  • statistical mechanics
  • information theory
  • information theoretic
  • clustering algorithm
  • genetic algorithm
  • neural network
  • machine learning
  • pairwise
  • image analysis
  • sufficient conditions
  • fixed point