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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.
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
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An: 193281564
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  Data: 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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  Data: <searchLink fieldCode="JN" term="%22Crystal+Research+%26+Technology%22">Crystal Research & Technology</searchLink>. Apr2026, Vol. 61 Issue 4, p1-16. 16p.
PLink https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=asn&AN=193281564
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      – Type: doi
        Value: 10.1002/crat.70093
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      – Code: eng
        Text: English
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        PageCount: 16
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      – TitleFull: 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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            NameFull: Szeleszczuk, Łukasz
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            NameFull: Pisklak, Dariusz Maciej
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            – D: 01
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              Text: Apr2026
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              Y: 2026
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              Value: 61
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