Over the past years high-dimensional neural network potentials (HDNNPs), fitted to accurately reproduce ab initio potential energy surfaces, have become a powerful tool in chemistry, physics and mater
Coordinates of structures and optical absorption calculations results (Gaussian .log format).The structures are based on the C54H18 graphene quantum dot and contain 1, 2 or 6 sp3 carbon atoms in vario
Cu(I)-containing oxide semiconductors containing early transition-metal cations have been of growing interest as small bandgap semiconductors. Though, their lack of thermodynamic stability has slowed
