A carregar...

Development of ReaxFF Reactive Force Field for Aqueous Iron–Sulfur Clusters with Applications to Stability and Reactivity in Water

[Image: see text] Iron–sulfur clusters serve unique roles in biochemistry, geochemistry, and renewable energy technologies. However, a full theoretical understanding of their structures and properties is still lacking. To facilitate large-scale reactive molecular dynamics simulations of iron–sulfur...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Moerman, Evgeny, Furman, David, Wales, David J.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2021
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8028049/
https://ncbi.nlm.nih.gov/pubmed/33617718
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01292
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!