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Published 20 hours ago • verified publisher icon patonlab
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Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

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Cv and Cp calculation

Hi dear developers. Is there a way to compute Cv and Cp at different temperatures with GoodVibes? This would be really helpful. Many thanks

jacopo-lupi avatar jacopo-lupi

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verified publisher icon patonlab

Metadata

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

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