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kinbot

Community

Automated reaction pathway search for gas-phase molecules.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::kinbot

Usage Tracking

2.2.2
2.2.1
2.1.1
2.1.post0
4 / 8 versions selected
Downloads (Last 6 months): 0

Description

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.

About

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

noarch