Comment on 'Detecting supramolecular organic nanoparticles during heat wave'
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Re-calculated thermochemistry for the hydrogen-bond dimer formation of glutaric acid (GlA) and toluic acid (ToA). Originally presented in Zhang et al., Science (2026). The log files are optimization and frequency calculations at the wB97X-D/6-31++G** level of theory. The corresponding out files are the single point energy calculations op top of the DFT structures at the DLPNO-CCSD(T)/aug-cc-pVTZ level of theory.
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Zenodo创建时间：
2026-08-07
