This database is currently under development! Expect some links not to be active. New features are added weekly.

1-(2-Aminopyrimidin-5-yl)-2-(3-pyridyl)ethyne * Band gap: 2.24 eV in crystal, 2.76 eV in gas (GIRPED)
Home Updates Documentation Login/Signup or Logout
New: Dispersion Energies now available! New: Download Optimized Structures in .CIF format