Published August 25, 2020
| Version v1
Dataset
Open
Synthesis of Vinylene-Linked Two-Dimensional Conjugated Pol-ymers via the Horner-Wadsworth-Emmons Reaction
Description
DFTB+ // mio-0-1 optimised structures of 2D-PPQV1 and 2D-PPQV2. "Layer mismatch" structures were optimized with fixed unit cells.
Files
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md5:78a2d24f7c7675efaa87f8c15ebfd079
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md5:951cbb45af0ce269bc67ca989bea11a7
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