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Revitalizing Spin Natural Orbital Analysis: Electronic Structures of Mixed-Valence Compounds, Singlet Biradicals, and Antiferromagnetically Coupled Systems.

FuKit SheongJing-Xuan ZhangZhenyang Lin
Published in: J. Comput. Chem. (2019)
Keyphrases
  • complex systems
  • information systems
  • neural network
  • social networks
  • decision making
  • case study
  • intelligent systems
  • computer systems
  • statistical analysis
  • early stage
  • structural analysis