 | Acta Crystallographica Section B Acta Crystallographica Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS |
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![[Figure 2]](aw5089fig2mag.jpg)
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Figure 2
(a) Impact of applying intramolecular conformational energy corrections to the relative B86bPBE-XDM lattice energies of the candidate crystal structures for molecule XXXI. (b) Final B86bPBE-XDM + ΔDLPNO-CCSD(T1) crystal energy landscape for molecule XXXI. Form B is the most stable form experimentally. Tabulated energetics and additional CSP landscapes can be found in Section S1.1 of supporting information. |
![[Figure 2]](aw5089fig2.jpg)
| STRUCTURAL SCIENCE CRYSTAL ENGINEERING MATERIALS |
ISSN: 2052-5206
