chemical shifts / final energy / optimized energy / quantum chemical method / energy module / printing / chemical / open-shell systems / chemical shift calculation / energy / /
OperatingSystem
GNU/Linux / /
Organization
Federal Trade Commission / SEMI / /
Person
COSMO SEMI / SEMI FORCE / /
Position
solvation model / /
RadioStation
Core / /
Technology
GDIIS algorithm / Verlet algorithm / Linux / pdf / GUI / /