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TURBOMOLE Users Forum - Index

TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). 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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TURBOMOLE Users Forum - Index | turbo-forum.com Reviews

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TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). 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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TURBOMOLE Users Forum - Index | turbo-forum.com Reviews

https://turbo-forum.com

TURBOMOLE is a powerful Quantum Chemistry (QC) program package and one of the fastest and most stable codes available for standard quantum chemical applications (HF, DFT, MP2). 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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turbo-forum.com

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TURBOMOLE Users Forum - Index

http://www.turbo-forum.com/index.php

All news and announcements concerning the TURBOMOLE program. In Turbomole 7.1 released. On July 19, 2016, 04:06:27 pm. This FAQ may help with some of the more quirky features of the program package. In DFT-D3 settings compared. On October 18, 2011, 10:12:18 am. Installation and usage of TURBOMOLE. All problems, suggestions, and issues with TURBOMOLE installation. In Re: How to use M06-2X fu. On June 11, 2015, 05:19:46 pm. In Re: problem with point c. On December 11, 2013, 03:00:02 pm. Ridft, Rdgrad, Dscf...

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turbomole.com

Turbomole GmbH

http://www.turbomole.com/component/content/article/24-turbomole-program/59-turbomole-wires-comput-mol-sci.html

Turbomole overview - WIREs Computational Molecular Science. An overview of TURBOMOLE capabilities has been published as open access article. In the Software Focus section of WIREs Computational Molecular Science. Filipp Furche, Reinhart Ahlrichs, Christof Hättig, Wim Klopper, Marek Sierka, Florian Weigend. WIREs Comput. Mol. Sci. 2013, DOI: 10.1002/wcms.1162.

turbomole-gmbh.com

Turbomole GmbH

http://www.turbomole-gmbh.com/component/content/article/24-turbomole-program/59-turbomole-wires-comput-mol-sci.html

Turbomole overview - WIREs Computational Molecular Science. An overview of TURBOMOLE capabilities has been published as open access article. In the Software Focus section of WIREs Computational Molecular Science. Filipp Furche, Reinhart Ahlrichs, Christof Hättig, Wim Klopper, Marek Sierka, Florian Weigend. WIREs Comput. Mol. Sci. 2013, DOI: 10.1002/wcms.1162.

turbomole.com

TURBOMOLE Release Notes

http://www.turbomole.com/release-notes.html

TURBOMOLE Version 7.1 (July 2016). DFT calculations for periodic systems ( module riper. Analytic gradients now allow geometry optimization. ECPs are available for energy and gradient calculations. Fractional occupation and smearing for metals. Band structure plots and visualization of the density. DFT-D3 dispersion correction for energies and gradients. RI-RPA gradients for unrestricted calculations (rirpa) [2]. Genetic algorithm for global structure optimization (see DoDo section in the manual) [3].

turbomole-gmbh.com

The Founders of TURBOMOLE GmbH

http://www.turbomole-gmbh.com/the-founders.html

The Founders of TURBOMOLE GmbH. Prof Dr. Reinhart Ahlrichs. His group has initiated the development of the TURBOMOLE program among other things. Prof Dr. Filipp Furche. Static and time-dependent density functional theory, molecular properties, new algorithms, excited states, photochemistry, nanoscience. Prof Dr. Christof Hättig. Prof Dr. Willem M. Klopper. Prof Dr. Marek Sierka. PD Dr Florian Weigend. Florian Weigend studied Physics in Karlsruhe, received his Diplom in 1995. He turned towards theoret...

turbomole.de

How to Buy TURBOMOLE: Information on Licenses, Prices and Ordering

http://www.turbomole.de/how-to-buy.html

How to Buy TURBOMOLE: Information on Licenses, Prices and Ordering.

turbomole.de

TURBOMOLE Release Notes

http://www.turbomole.de/release-notes.html

TURBOMOLE Version 7.1 (July 2016). DFT calculations for periodic systems ( module riper. Analytic gradients now allow geometry optimization. ECPs are available for energy and gradient calculations. Fractional occupation and smearing for metals. Band structure plots and visualization of the density. DFT-D3 dispersion correction for energies and gradients. RI-RPA gradients for unrestricted calculations (rirpa) [2]. Genetic algorithm for global structure optimization (see DoDo section in the manual) [3].

turbomole.de

TURBOMOLE Version 7.1

http://www.turbomole.de/32-newsmp/61-turbomole-version-711.html

TURBOMOLE: Program Package for ab initio Electronic Structure Calculations. TURBOMOLE Version 7.1. DFT calculations for periodic systems ( module riper. Analytic gradients now allow geometry optimization. ECPs are available for energy and gradient calculations. Fractional occupation and smearing for metals. Band structure plots and visualization of the density. DFT-D3 dispersion correction for energies and gradients. RI-RPA gradients for unrestricted calculations (rirpa) [2]. New scripts and tools:.

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TURBOMOLE Users Forum - Index

All news and announcements concerning the TURBOMOLE program. In Turbomole 7.0 released. On July 03, 2015, 10:09:09 am. This FAQ may help with some of the more quirky features of the program package. In DFT-D3 settings compared. On October 18, 2011, 10:12:18 am. Installation and usage of TURBOMOLE. All problems, suggestions, and issues with TURBOMOLE installation. In Re: How to use M06-2X fu. On June 11, 2015, 05:19:46 pm. In Re: problem with point c. On December 11, 2013, 03:00:02 pm. Questions, problems...

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