Different coordination modes between FA and Mg2+
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Quantum chemical calculations were carried out using density functional theory (DFT) with the B3LYP hybrid functional and 6-31G(d, p) basis set. Solvent effects were simulated by the polarizable continuum models (PCM) solvent model with the experimental solvent. All calculations were performed with Gaussian 09 package.
创建时间：
2024-02-05
