Published April 14, 2021
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Density Functional Theory Comparison of Vibrational Spectra of Chloroquine and Hydroxychloroquine
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S1: Dynamic process of N-H vibration in HCQ at 298 cm-1. S2: Dynamic process of N-H vibration in CQ at 310 cm-1. S3: Dynamic process of O-H vibration in HCQ at 339 cm-1. S4: Dynamic process of -OH vibration in HCQ at 990 cm-1. S5: Dynamic process of H-O-C-H vibration in HCQ at 1082 cm-1. S6: Dynamic process of H-O-C-H vibration in HCQ at 1358 cm-1. S7: Dynamic process of N-H related vibration in HCQ at 1550 cm-1. S8: Dynamic process of O-H stretching in HCQ at 3723 cm-1.
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