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quasi-harmonic

Here are 3 public repositories matching this topic...

GoodVibes

patonlab / GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

temperature gaussian compchem dispersion thermochemistry vibrational-entropies quasi-harmonic rrho

Updated Sep 5, 2024
Python

Antibas / eaQHM-analysis-and-synthesis-in-Python

A code that performs extended adaptive Quasi Harmonic Model Analysis and Synthesis in a speech signal.

signal-processing speech speech-synthesis speech-analysis quasi-harmonic

Updated Aug 13, 2024
Python

geem-lab / overreact-data

Data used for testing overreact. Includes data related to a manuscript in preparation.

python library chemistry computational-chemistry compchem chemical-kinetics thermochemistry vibrational-entropies overreact quasi-harmonic-approximation catalysis quasi-harmonic chemical-kinetics-simulator rrho computational-chemistry-logfiles

Updated Feb 16, 2023

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