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code dedicated to the calculation of the electronic structure and magnetic properties of lanthanide complexes.

Simone CalvelloMatteo PiccardoShashank Vittal RaoAlessandro Soncini
Published in: J. Comput. Chem. (2018)
Keyphrases
  • structural properties
  • database
  • topological properties
  • real time
  • structural information
  • geometric structure
  • design automation
  • databases
  • machine learning
  • source code
  • dynamic behavior