kinbot
Automated reaction pathway search for gas-phase molecules.
Automated reaction pathway search for gas-phase molecules.
To install this package, run one of the following:
KinBot is an automated gas-phase kinetics workflow code that drives electronic structure calculations on a chemical PES and characterizes the chemically relevant stationary points to finally create a complete master equation formulation of the chemical kinetic system.
Summary
Automated reaction pathway search for gas-phase molecules.
Last Updated
Oct 14, 2024 at 19:18
License
BSD-3-Clause
Total Downloads
6.6K
Supported Platforms
GitHub Repository
https://github.com/zadorlab/KinBotDocumentation
https://github.com/zadorlab/KinBot/wiki