@article{IUPAC+AT06946+2025,
url = {https://doi.org/10.1351/goldbook.AT06946},
institution = {International Union of Pure and Applied Chemistry (IUPAC)},
year = {2025},
title = {<i>ab initio</i> calculations},
doi = {doi:10.1351/goldbook.AT06946},
edition = {5.0.0}
}