POLYRATE 2010-A: Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics. The POLYRATE package is available for downloading (Web access only) through Donald G. Truhlar at the University of Minnesota. To obtain POLYRATE from Minnesota, print, fill out, and sign the license below and either fax it to him at 612-626-9390 or scan it and send it as an e-mail attachment to firstname.lastname@example.org. You will then receive the password required for downloading by email. POLYRATE distribution at Minnesota is currently being handled by Software Manager. POLYRATE 2010-A is not reverse compatible with all previous versions of the interface programs. New versions of these programs will be released. Earlier versions of the code that are still used in some derived codes are also available, in particular:
Keywords for this software
References in zbMATH (referenced in 3 articles )
Showing results 1 to 3 of 3.
- Duchovic, Ronald J.; Volobuev, Yuri L.; Lynch, Gillian C.; Truhlar, Donald G.; Allison, Thomas C.; Wagner, Albert F.; Garrett, Bruce C.; Corchado, Jose C.: POTLIB 2001: A potential energy surface library for chemical systems (2002)
- Kendall, Ricky A.; Aprà, Edoardo; Bernholdt, David E.; Bylaska, Eric J.; Dupuis, Michel; Fann, George I.; Harrison, Robert J.; Ju, Jialin; Nichols, Jeffrey A.; Nieplocha, Jarek; Straatsma, T.P.; Windus, Theresa L.; Wong, Adrian T.: High performance computational chemistry: An overview of NWChem a distributed parallel application (2000)
- Garrett, Bruce C.; Lynch, Gillian C.; Allison, Thomas C.; Truhlar, Donald G.: ABCRATE: A program for the calculation of atom-diatom reaction rates (1998)
Further publications can be found at: http://comp.chem.umn.edu/polyrate/pubs.htm