@article {19, title = {Bridging the homogeneous-heterogeneous divide: modeling spin and reactivity in single atom catalysis}, journal = {Front. Chem.}, volume = {7}, year = {2019}, pages = {219}, chapter = {219}, doi = {https://doi.org/10.3389/fchem.2019.00219}, url = {https://www.frontiersin.org/articles/10.3389/fchem.2019.00219/full}, author = {Liu, Fang and Yang, Tzuhsiung and Yang, Jing and Xu, Eve and Bajaj, Akash and Kulik, Heather Janine} }