Alicia Omist

Alicia Omist

PhD Student

Publications

  1. 2.

    Spin-Permutation Diabatization: A General Framework for Spin Localization and Exchange Coupling

    J. Chem. Theory Comput. , 2026 , 22 (2) , 963--971

    DOI
    BibTeX
    BibTeX
    @article{10-1021-acs-jctc-5c01904,
      title = {Spin-Permutation Diabatization: A General Framework for Spin Localization and Exchange Coupling},
      author = {Alicia Omist and David Casanova},
      journal = {J. Chem. Theory Comput.},
      year = {2026},
      volume = {22},
      number = {2},
      pages = {963--971},
      doi = {10.1021/acs.jctc.5c01904},
      url = {https://doi.org/10.1021/acs.jctc.5c01904},
    }
    IT2067 MolEles-KT
  2. 1.

    Magnetic Properties, Spin-Vibration Couplings, and Temperature Effects in Phenalenyl and Triangulene

    JOURNAL OF CHEMICAL THEORY AND COMPUTATION , 2025 , 21 (3) , 1153-1162

    DOI
    BibTeX
    BibTeX
    @article{10-1021-acs-jctc-4c01255,
      title = {Magnetic Properties, Spin-Vibration Couplings, and Temperature Effects in Phenalenyl and Triangulene},
      author = {Alicia Omist and Antonio Cebreiro-Gallardo and Matt Hugget and Roberto A. Boto and David Casanova},
      journal = {JOURNAL OF CHEMICAL THEORY AND COMPUTATION},
      year = {2025},
      volume = {21},
      number = {3},
      pages = {1153-1162},
      doi = {10.1021/acs.jctc.4c01255},
      url = {https://doi.org/10.1021/acs.jctc.4c01255},
    }
    MolEles-KT