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. 2020 May 20;6(21):eaaz6107. doi: 10.1126/sciadv.aaz6107

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Copyright © 2020 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

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Fig. 5 — (A) Gibbs free energy change of the click reaction (TPEDB + PVA → TPEDB-PVA + H₂O). (B) Molecular orbitals and energy levels of the ground state (S₀), first singlet excited state (S₁), and first triplet excited state (T₁) for TPEDB molecule and PVA. (C) Definition of the dihedral angle (d) between the phenyl ring and C═C planes. (D) Distribution of dihedral angle d during AIMD for TPEDB-PVA (100, 67, and 50) and TPEDB with hydroxyl-free polymers (PDDA, PSS, and PVDF).