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Next-generation QTAIM for scoring molecular wires in E-fields for molecular electronic devices.

Alireza AziziRoya MomenHerbert FrüchtlTanja Van MourikSteven R. KirkSamantha Jenkins
Published in: J. Comput. Chem. (2020)
Keyphrases
  • electronic devices
  • three dimensional
  • dna computing
  • genetic algorithm
  • neural network
  • drug discovery
  • chemical reactions
  • database
  • data sets
  • data mining
  • mobile phone
  • molecular level