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, Moller-Pleset theory, coupled clusters, RPA, and semiempirical methods are available. Extras. Information: Distribution includes TmoleX - the graphical user interface of TURBOMOLE.
Year / Release Date: 2016 Version: 7.1 Developer: COSMOlogic GmbH Bit depth: 64bit Language: English Tabletka: present System requirements: Microsoft Windows x86_64; GNU / Linux x86_64
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