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This program discovers reaction mechanisms and solves the kinetics in an automated fashion. TS guess structures are obtained from accelerated trajectory simulations, and minima/products from the IRC. Finally, the kinetics is solved using KMC.


Tags: tsscds


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Registered: 2017-06-12 16:25
Activity Percentile: 75%
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Developer Info
Project Admins:
Emilio Martinez Nuñez
Developers:
Aurelio Rodriguez
Daniel Pelaez
Roberto Rodríguez Fernández
Sabine Kopec
Saulo Vázquez Rodríguez

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tsscds2018 October 23, 2017 Release Notes - Monitor this package Download

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Latest News
revision 275
    Emilio Martinez Nuñez - 2018-05-07 20:09
revision 273
    Emilio Martinez Nuñez - 2018-04-29 01:55
revision 272
    Emilio Martinez Nuñez - 2018-04-28 19:57
revision 245
    Emilio Martinez Nuñez - 2018-03-16 21:18
revision 244
    Emilio Martinez Nuñez - 2018-03-02 11:28
revision 243
    Emilio Martinez Nuñez - 2018-02-28 18:54
revision 242
    Emilio Martinez Nuñez - 2018-02-21 20:24
revision 241
    Emilio Martinez Nuñez - 2018-02-21 15:04
revision 240
    Emilio Martinez Nuñez - 2018-02-20 14:03
revision 239
    Emilio Martinez Nuñez - 2018-02-16 20:59


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