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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: 66.66%
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Developer Info
Project Admins:
Emilio Martinez Nuñez
Aurelio Rodriguez
Roberto Rodríguez Fernández
Saulo Vázquez Rodríguez

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

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Latest News
build 245
    Emilio Martinez Nuñez - 2018-03-16 21:18
build 244
    Emilio Martinez Nuñez - 2018-03-02 11:28
build 243
    Emilio Martinez Nuñez - 2018-02-28 18:54
build 242
    Emilio Martinez Nuñez - 2018-02-21 20:24
build 241
    Emilio Martinez Nuñez - 2018-02-21 15:04
Bug fixed--build 240
    Emilio Martinez Nuñez - 2018-02-20 14:03
Bug fixed--build 239
    Emilio Martinez Nuñez - 2018-02-16 20:59

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