Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Enhu Diao"'
Publikováno v:
Frontiers in Quantum Science and Technology, Vol 2 (2023)
Many have reported the use of quantum chemistry approaches for evaluating the catalytic properties of iron carbide clusters. Unfortunately, structural energy calculations are computationally expensive when using density functional theory. The computa
Externí odkaz:
https://doaj.org/article/9663ed7505d44d3fb8d12b7efaa818e8
Iron carbide clusters are studied extensively in many catalysis fields by quantum chemistry methods. The high cost of structural energy calculation has always been the bottleneck of its development. First principles based on density functional theory
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dc563b79082110d1a3f7c4a04659dc77
https://doi.org/10.21203/rs.3.rs-1813606/v1
https://doi.org/10.21203/rs.3.rs-1813606/v1
