TURBOMOLE 7.1 x64 | 1.65 GB
TURBOMOLE is a program for performing calculations by the methods of quantum chemistry from the first principles. Conducts large-scale modeling of molecules, clusters and periodic structures. In TURBOMOLE, the basic sets of Gaussians (GTO) are used. The methods of density functional theory, Möller-Pleset theory, coupled clusters, RPA, and semiempirical methods are available.