Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
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American Chemical Society
2024-11-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.3c09613 |
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| _version_ | 1846163353260523520 |
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| author | Estela Mayoral Ivonne Judith Hernández-Hernández José-Manuel Martínez-Magadán Jaime Klapp Carolina Zuriaga-Monroy Miriam Ballesteros-Olvera Raúl Oviedo-Roa |
| author_facet | Estela Mayoral Ivonne Judith Hernández-Hernández José-Manuel Martínez-Magadán Jaime Klapp Carolina Zuriaga-Monroy Miriam Ballesteros-Olvera Raúl Oviedo-Roa |
| author_sort | Estela Mayoral |
| collection | DOAJ |
| format | Article |
| id | doaj-art-72a5beb92830406fa1fb788e6a5cfe2f |
| institution | Kabale University |
| issn | 2470-1343 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj-art-72a5beb92830406fa1fb788e6a5cfe2f2024-11-19T10:16:38ZengAmerican Chemical SocietyACS Omega2470-13432024-11-01946457064571810.1021/acsomega.3c09613Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide NanoparticlesEstela Mayoral0Ivonne Judith Hernández-Hernández1José-Manuel Martínez-Magadán2Jaime Klapp3Carolina Zuriaga-Monroy4Miriam Ballesteros-Olvera5Raúl Oviedo-Roa6Departamento de Física, Instituto Nacional de Investigaciones Nucleares, Ocoyoacac, Estado de México, MexicoDepartamento de Física, Instituto Nacional de Investigaciones Nucleares, Ocoyoacac, Estado de México, MexicoInstituto Mexicano del Petróleo, Gustavo A. Madero, CDMX, MexicoDepartamento de Física, Instituto Nacional de Investigaciones Nucleares, Ocoyoacac, Estado de México, MexicoInstituto Mexicano del Petróleo, Gustavo A. Madero, CDMX, MexicoInstituto Mexicano del Petróleo, Gustavo A. Madero, CDMX, MexicoInstituto Mexicano del Petróleo, Gustavo A. Madero, CDMX, Mexicohttps://doi.org/10.1021/acsomega.3c09613 |
| spellingShingle | Estela Mayoral Ivonne Judith Hernández-Hernández José-Manuel Martínez-Magadán Jaime Klapp Carolina Zuriaga-Monroy Miriam Ballesteros-Olvera Raúl Oviedo-Roa Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles ACS Omega |
| title | Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles |
| title_full | Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles |
| title_fullStr | Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles |
| title_full_unstemmed | Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles |
| title_short | Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles |
| title_sort | dissipative particle dynamics using conductor like screening model for real solvents based interaction parameters for classical simulations of dibenzothiophene adsorption on molybdenum disulfide nanoparticles |
| url | https://doi.org/10.1021/acsomega.3c09613 |
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