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Water for Injection USP is chemically designated H 2 O

doi: 10.1038/s41467-019-11738-0 101 CarlsonPDasguptaAGrzelakCAKimJBarrettAColemanIMet al

Full geometry optimizations, relaxed scans and transition structure searches were carried out with Gaussian 16 83 with the ONIOM 84 QM/MM method using the B3LYP hybrid functional 85 and 6-31 G(d) basis set with ultrafine integration grids for the QM part and the ff14SB 78 , gaff2 79 and TIP3P 86 force fields for the MM part (protein, substrate and water, respectively) with electrostatic embedding

Follow-Up & Maintenance 2-week check-in We schedule a follow-up to assess how the filler has settled