Editorial Expression of Concern to: Scientific Reports 10.1038/s41598-021-99616-y, published online 12 October 2021
The Editors are issuing an Editorial Expression of Concern to alert readers that this article shows substantial indication of irregularities in authorship during the submission process. Readers should also note that the source of the coefficients used in Table 1 was omitted and is Rappé et al. 19921.
Davood Toghraie agrees with this statement. Liang Zhao, Mahyuddin K. M. Nasution, Maboud Hekmatifar, Roozbeh Sabetvand, Pavel Kamenskov, As’ad Alizadeh & Teimour Ghahari Iran have not responded to correspondence about this statement.
Contributor Information
Liang Zhao, Email: zhaoliang@yznu.edu.cn.
Davood Toghraie, Email: Toghraee@iaukhsh.ac.ir.
Reference
- 1.Rappé AK, Casewit CJ, Colwell K, Goddard WA, III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992;114(25):10024–10035. doi: 10.1021/ja00051a040. [DOI] [Google Scholar]