Abstract
KinBot 2.0 searches for chemical reaction pathways for gas-phase systems containing C, H, and O atoms. It determines the structure of key intermediates and products, characterizes their molecular structure and related properties, and creates an output that can be conveniently used to calculate rate coefficients by other codes.
- Developers:
- Release Date:
- 2018-08-01
- Project Type:
- Open Source, Publicly Available Repository
- Software Type:
- Scientific
- Programming Languages:
-
Python
- Licenses:
-
BSD 3-clause "New" or "Revised" License
- Sponsoring Org.:
-
USDOEPrimary Award/Contract Number:NA0003525
- Code ID:
- 16776
- Site Accession Number:
- SCR#2329
- Research Org.:
- Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
- Country of Origin:
- United States
Citation Formats
Zador, Judit, and Van de Vijver, Ruben.
KinBot.
Computer Software.
https://github.com/zadorlab/KinBot.
USDOE.
01 Aug. 2018.
Web.
doi:10.11578/dc.20180906.1.
Zador, Judit, & Van de Vijver, Ruben.
(2018, August 01).
KinBot.
[Computer software].
https://github.com/zadorlab/KinBot.
https://doi.org/10.11578/dc.20180906.1.
Zador, Judit, and Van de Vijver, Ruben.
"KinBot." Computer software.
August 01, 2018.
https://github.com/zadorlab/KinBot.
https://doi.org/10.11578/dc.20180906.1.
@misc{
doecode_16776,
title = {KinBot},
author = {Zador, Judit and Van de Vijver, Ruben},
abstractNote = {KinBot 2.0 searches for chemical reaction pathways for gas-phase systems containing C, H, and O atoms. It determines the structure of key intermediates and products, characterizes their molecular structure and related properties, and creates an output that can be conveniently used to calculate rate coefficients by other codes.},
doi = {10.11578/dc.20180906.1},
url = {https://doi.org/10.11578/dc.20180906.1},
howpublished = {[Computer Software] \url{https://doi.org/10.11578/dc.20180906.1}},
year = {2018},
month = {aug}
}