Quantitative Structure-Properties Relationship of Lubricating Oil Additives and Molecular Dynamic Simulations Studies of Diamond-Like-Carbon (DLC)

@article{Abdulfatai2020QuantitativeSR,
  title={Quantitative Structure-Properties Relationship of Lubricating Oil Additives and Molecular Dynamic Simulations Studies of Diamond-Like-Carbon (DLC)},
  author={Usman Abdulfatai and Uzairu Uzairu and S. Uba and Gideon Adamu Shallangwa},
  journal={Iranian Journal of Chemistry & Chemical Engineering-international English Edition},
  year={2020}
}
Quantitative structure-properties relationship (QSPR) and molecular dynamics simulations studies were carried out on the 53 lubricating oil additives and hydrogen-containing DLC (a-C: H). Good QSPR model was developed along with squared correlation coefficient (R2), adjusted squared correlation coefficient (R2adj), leave one out cross validation coefficient (Q2) and the external validation (R2ext) of values 0.807208, 0.763674, 0.68867 and 0.6297 respectively which shows that model I was… Expand

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