Tag: Density functional theory

Screening identifies 180 altermagnetic materials with spin splitting
April 29, 2026
EAC-Net predicts charge density with high accuracy
April 28, 2026
Method speeds up TDDFT calculations for XRTS analysis
April 27, 2026
Additive radii fitted for sixfold metal–metal bonding
New covalent radii for extremely short bonds between transition metals and actinides
March 30, 2026
Structural modification improved catechin antioxidant and lipid-solubility traits
How structural changes boost antioxidant power and fat solubility in catechins
March 24, 2026