Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters
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Author(s):
Haide Wu, Morten Engsvang, Yosef Knattrup, Jakub Kubečka, and Jonas Elm
Published in:
ACS Omega, 2023, ISSN 2470-1343
Publisher:
American Chemical Society
DOI:
10.1021/acsomega.3c06794
RSC Advances
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Author(s):
Yosef Knattrup; Jakub Kubečka; Haide Wu; Frank Jensen; Jonas Elm
Published in:
Knattrup , Y , Kubečka , J , Wu , H , Jensen , F & Elm , J 2024 , ' Reparameterization of GFN1-xTB for atmospheric molecular clusters : applications to multi-acid-multi-base systems ' , RSC Advances , vol. 14 , no. 28 , pp. 20048-20055 . https://doi.org/10.1039/d4ra03021d, 2024, ISSN 2046-2069
Publisher:
Royal Society of Chemistry
DOI:
10.26434/CHEMRXIV-2024-VNH4K