DOI: 10.1038/s43588-023-00437-y
S. Pablo García, S. Morandi, R.A. Vargas-Hernández, K. Jorner, Ž. Ivković, N. López & A. Aspuru-Guzik.
Santiago Morandi, Oliver Loveday & Moisés Álvarez.
* Small molecules like CO and H₂ are not properly predicted