Hagen Neugebauer, Benedikt Bädorf, Sebastian Ehlert, Andreas Hansen, Stefan Grimme. High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods. Journal of Computational Chemistry, 44(27):2120-2129, 2023. [doi]
@article{NeugebauerBEHG23,
title = {High-throughput screening of spin states for transition metal complexes with spin-polarized extended tight-binding methods},
author = {Hagen Neugebauer and Benedikt Bädorf and Sebastian Ehlert and Andreas Hansen and Stefan Grimme},
year = {2023},
doi = {10.1002/jcc.27185},
url = {https://doi.org/10.1002/jcc.27185},
researchr = {https://researchr.org/publication/NeugebauerBEHG23},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {44},
number = {27},
pages = {2120-2129},
}