Publications
- 2.
Spin-Permutation Diabatization: A General Framework for Spin Localization and Exchange Coupling
J. Chem. Theory Comput. , 2026 , 22 (2) , 963--971
DOIBibTeX
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}, } - 1.
Magnetic Properties, Spin-Vibration Couplings, and Temperature Effects in Phenalenyl and Triangulene
JOURNAL OF CHEMICAL THEORY AND COMPUTATION , 2025 , 21 (3) , 1153-1162
DOIBibTeX
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}, }
