ACS Omega (Nov 2024)

Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles

  • Estela Mayoral,
  • Ivonne Judith Hernández-Hernández,
  • José-Manuel Martínez-Magadán,
  • Jaime Klapp,
  • Carolina Zuriaga-Monroy,
  • Miriam Ballesteros-Olvera,
  • Raúl Oviedo-Roa

DOI
https://doi.org/10.1021/acsomega.3c09613
Journal volume & issue
Vol. 9, no. 46
pp. 45706 – 45718

Abstract

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