News

AI predicts material properties using electron-level information without costly quantum mechanical computations
Researchers in Korea have developed an artificial intelligence (AI) technology that predicts molecular properties by learning ...
C&EN16d
A Minima Hopping Study of All-Atom Protein Folding and Structure Prediction | The Journal of Physical Chemistry B - ACS Publications
The minima hopping algorithm (MHOP) to find global minima on potential energy surfaces is used for protein structure prediction. The energy surface of the protein is represented with an all-atom OPLS ...
C&EN29d
First Optically Active Phosphapalladacycle Bearing a Phosphorus Atom in an Axially Chiral Environment | Organometallics - ACS Publications
Direct C−H bond activation in the (Sa)-BINOL-derived phosphite (HL) afforded the dimeric cyclopalladated complex (Sa,Sa)-{Pd(η2-L)(μ-Cl)}2 (1), which is the first optically active phosphapalladacycle ...