Resolving the self-interaction correction paradox in molecular modeling
Local scaling self-interaction correction (LSIC) overcomes long-standing problems for accurate simulation of chemical reactions from start to finish.
Local scaling self-interaction correction (LSIC) overcomes long-standing problems for accurate simulation of chemical reactions from start to finish.
Novel isotope tracking brings nanoscale chemistry into view
Molecular cage to trap chloride could help reduce rising level of salt contaminants flowing into freshwater streams and lakes across the United States.
Understanding how polycyclic aromatic hydrocarbons form can help scientists better understand the origin and evolution of carbon in our galaxy
A new catalyst design meets cost, activity, and durability goals by leveraging ultralow loadings of platinum with platinum-free supports.
New approach to studying ions more accurately predicts behavior, providing insights for biological systems, environmental processes, and materials development.
Expanding our understanding of the structure and decay properties of some of the most exotic elements.
Read more about Building a Scale to Weigh Superheavy ElementsNew method could enable studying the fastest interactions of ultrabright X-rays with matter, a vital way of learning about chemical reactions.
Insight about energy flow in copper-based material could aid in creating efficient molecular electronics.
Design principles lead to a catalyst that splits water in a low pH environment, vital for generating solar fuels.
Theorists show how a new quantum device could control a chemical reaction remotely, changing our understanding of how reactions can work.
Insights into how nature converts carbon dioxide into sugar could help scientists develop crops that produce fuels and other products.