Discovery of molybdenum based nitrogen fixation catalysts with genetic algorithms

Chem. Sci., 2024, 15,10638-10650DOI: 10.1039/D4SC02227K, Edge Article Open Access &nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Magnus Strandgaard, Julius Seumer, Jan H. JensenUsing genetic algorithms and semiempirical quantum mechanical methods for discovery of nitrogen fixation catalysts.The content of this RSS Feed (c) The Royal Society of Chemistry