Results 21 to 24 of about 24 (24)
DC24: A new density coherence functional for multiconfiguration density‐coherence functional theory
Journal of Computational Chemistry, Volume 46, Issue 1, January 5, 2025.Multiconfiguration density‐coherence functional theory is a low‐cost and high‐accuracy electronic structure method that recovers dynamic correlation in inherently multiconfigurational molecules and transition states by expressing the nonclassical energy as a functional of the unpaired density computed from the one‐particle reduced density matrix in the
Dayou Zhang +2 more
wiley +1 more source
Advanced Science, Volume 11, Issue 48, December 26, 2024.A porous silicon nanocage encapsulating phosphotriesterase variant L7ep‐3a is evaluated for nerve agent detoxification. By tuning the physicochemical properties of the enzyme–porous silicon nanoconstruct, enhanced catalytic activity, and operational stability are achieved compared to the free enzyme.
Yi‐Sheng Lu +12 more
wiley +1 more source
Journal of Fish Biology, Volume 105, Issue 6, Page 1501-1539, December 2024.Abstract Phoxinus minnows are small freshwater fish found throughout Eurasia. The taxonomy of this genus is still under investigation, and new species are regularly described. They are frequently introduced outside their native range due to their use as live bait for angling, and such fish introductions can have diverse impacts on the recipient areas ...
Anaïs Esposito +3 more
wiley +1 more source