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Computer Design of Structure of Molecules of High-Energy Tetrazines. Calculation of Thermochemical Properties.

Vadim M. VolokhovElena S. AmosovaAlexander V. VolokhovTatiana S. ZyubinaDavid B. LempertLeonid S. YanovskiyIlya D. Fateev
Published in: Supercomput. Front. Innov. (2020)
Keyphrases
  • high energy
  • computer aided
  • database
  • neural network
  • design process
  • genetic algorithm
  • case study
  • computer systems
  • building blocks
  • graph structure
  • structural features
  • topological properties