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gas-phase-molecules

Here are 2 public repositories matching this topic...

zadorlab / KinBot

Automated reaction pathway search for gas-phase molecules

automation chemistry combustion kinetics atmospheric-chemistry potential-energy-surfaces gas-phase-molecules

Updated Nov 17, 2024
Python

jbellamycarter / chargePlacer

Python implementation of a charge positioning algorithm for gas-phase molecular dynamics

molecular-dynamics mass-spectrometry gas-phase-molecules charge-distribution

Updated Mar 28, 2022
Jupyter Notebook

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