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TURBOMOLE is a quantum chemical program package, initially developed in the group of Prof. Dr. Reinhart Ahlrichs at the University of Karlsruhe and at the Forschungszentrum Karlsruhe.
In 2007, the TURBOMOLE GmbH Company founded by R. Ahlrichs, F. Furche, C. Hättig, W. Klopper, M. Sierka, and F. Weigend took over the responsibility for the coordination of the scientific development of TURBOMOLE program, to which the Company holds all copy and intellectual property rights.
With almost 20 years of continuous development TURBOMOLE has become a valuable tool used by academic and industrial researchers. It is used in research areas ranging form homogeneous and heterogeneous catalysis, inorganic and organic chemistry to various types of spectroscopy, and biochemistry. The philosophy behind the development of the code was, and still is, its usefulness for applications:
"Applications to molecules with more than 100 atoms -of all kinds- are mainly carried out in connection with experiments to check, correct and to predict properties of molecules and their existence."
(Reinhart Ahlrichs)
Presently TURBOMOLE is one of the fastest and most stable codes available for standard quantum chemical applications. Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and functionals, but to provide a fast and stable code which is able to treat molecules of industrial relevance at reasonable time and memory requirements.
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New features: Vibrational Raman intensities using analytical derivatives of frequency-dependent TDHF and (hybrid) TDDFT polarizabilities Spin-Orbit Coupling Two-component RI-Hartree-Fock and RI-DFT calculations with Spin-Orbit-ECPs (spin-orbit coupling) SCS-RI-MP2 (module ricc2) energy and gradients (for closed-shell HF and UHF reference states, sequential and parallel implementation) Periodic Point Charges for HF and DFT, energy and gradient calculations
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COSMOlogic takes responsibility for TURBOMOLE distribution and support |
COSMOlogic has been a succesful redistributor of the TURBOMOLE program package for many years and has also been actively involved in its development and customer support. The know-how and long-term marketing experience of COSMO logic has ensured satisfaction of the TURBOMOLE users. Therefore, TURBOMOLE GmbH has made the decision to grant exclusive responsibility for the distribution, support as well as the software management of TURBOMOLE to COSMO logic. For further information on license schemes, prices, and how to order TURBOMOLE, please contact COSMOlogic under
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