Computer aided molecular design coupled with molecular dynamics as a novel approach to design new lubricants

Author:

Valencia-Marquez Darinel,Flores-Tlacuahuac Antonio,García-Cuéllar Alejandro J.,Ricardez-Sandoval Luis

Publisher

Elsevier BV

Subject

Computer Science Applications,General Chemical Engineering

Reference98 articles.

1. Generalization of the Wolfe reduced gradient method to the case of nonlinear constraints;Abadie,1969

2. Computational modelling of some anti-friction lubricant additives;Abdulfatai;S. Afr. J. Chem. Eng.,2020

3. Designing and estimating antioxidant properties of some lubricant additives via QSPR and MD methodologies;Abdulfatai;Sci. African,2020

4. In silico modeling, prediction, and designing of some anti-wear lubricant additives;Abdulfatai;J. Bio- Tribo-Corrosion,2020

5. Molecular design of antioxidant lubricating oil additives via QSPR and analysis dynamic simulation method;Abdulfatai;Heliyon,2019

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