Reference QM Data and MD Simulations for HFO-1234yf/HFO-1234ze(E) and their binary mixtures
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This repository contains the reference quantum mechanical (QM) data and molecular dynamics (MD) simulation files used for force-field optimization and thermodynamic-property calculations of HFO-1234yf, HFO-1234ze(E), and their binary mixtures.
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Zenodo创建时间：
2026-05-13
