Supplementary data of Wong et al (2026)
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Supplementary data of Wong et al (2026) Atomic coordinates of the water-interacting complexes of menthol (Men) and Decanoic acid (DecA) extracted from MD trajectory then optimized at the B3LYP-D3(BJ)/def-TZVP level of theory. m2_opt.xyz : The Men-water-Men complex. m1d1_opt.xyz : The DecA-water-Men complex. d2_opt.xyz : The DecA-water-DecA complex.
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Zenodo创建时间：
2025-12-29
