Oscar A. Douglas-Gallardo, Ian Shepherd, Simon J. Bennie, Kara E. Ranaghan, Adrian J. Mulholland, Esteban Vöhringer-Martinez. Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach. Journal of Computational Chemistry, 41(24):2151-2157, 2020. [doi]
@article{Douglas-Gallardo20,
title = {Electronic structure benchmark calculations of CO2 fixing elementary chemical steps in RuBisCO using the projector-based embedding approach},
author = {Oscar A. Douglas-Gallardo and Ian Shepherd and Simon J. Bennie and Kara E. Ranaghan and Adrian J. Mulholland and Esteban Vöhringer-Martinez},
year = {2020},
doi = {10.1002/jcc.26380},
url = {https://doi.org/10.1002/jcc.26380},
researchr = {https://researchr.org/publication/Douglas-Gallardo20},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {41},
number = {24},
pages = {2151-2157},
}