Magnetic coupling constants in three electrons three centers problems from effective hamiltonian theory and validation of broken symmetry-based approaches

  1. Reta, D.
  2. Moreira, I.D.P.R.
  3. Illas, F.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626,  1549-9618

Year of publication: 2016

Volume: 12

Issue: 7

Pages: 3228-3235

Type: Article

DOI: 10.1021/ACS.JCTC.6B00413 GOOGLE SCHOLAR

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Data source: Scopus