Crystal Structure Prediction of a Low‐Symmetry Molecular Crystal (P1, Z = Z′ = 1) Using Periodic DFT and Cubic Starting Cells: A Case Study on 1‐{4‐[(prop‐2‐yn‐1‐yl)oxy]phenyl}ethan‐1‐one.
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| Title: | Crystal Structure Prediction of a Low‐Symmetry Molecular Crystal (P1, Z = Z′ = 1) Using Periodic DFT and Cubic Starting Cells: A Case Study on 1‐{4‐[(prop‐2‐yn‐1‐yl)oxy]phenyl}ethan‐1‐one. |
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| Authors: | Szeleszczuk, Łukasz1 (AUTHOR) Lukasz.szeleszczuk@wum.edu.pl, Pisklak, Dariusz Maciej1 (AUTHOR) |
| Source: | Crystal Research & Technology. Apr2026, Vol. 61 Issue 4, p1-16. 16p. |
| Database: | Academic Search Ultimate |
| ISSN: | 02321300 |
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| DOI: | 10.1002/crat.70093 |
