Stability of sulfur molecules and insights into sulfur allotropy

Using evolutionary algorithm USPEX, we predict structures of sulfur molecules S ( = 2 - 21). It is shown that for ≥ 5 stable structures of sulfur molecules are closed helical rings, which is in agreement with the experimental data and previous calculations. We investigate the stability of molecules...

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Bibliographic Details

Published in:	Physical chemistry chemical physics : PCCP Vol. 25; no. 13; p. 9294
Main Authors:	Fedyaeva, Maria, Lepeshkin, Sergey, Oganov, Artem R
Format:	Journal Article
Language:	English
Published:	England 29.03.2023
ISSN:	1463-9084, 1463-9084
Online Access:	Get more information
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