Dissipative Particle Dynamics Using Conductor-Like Screening Model for Real Solvents-Based Interaction Parameters for Classical Simulations of Dibenzothiophene Adsorption on Molybdenum Disulfide Nanoparticles
基于导体屏蔽模型的耗散粒子动力学方法,用于模拟二苯并噻吩在二硫化钼纳米粒子上的吸附,并计算基于真实溶剂的相互作用参数
期刊:ACS Omega
影响因子:4.3
doi:10.1021/acsomega.3c09613
Mayoral, Estela; Hernández-Hernández, Ivonne Judith; Martínez-Magadán, José-Manuel; Klapp, Jaime; Zuriaga-Monroy, Carolina; Ballesteros-Olvera, Miriam; Oviedo-Roa, Raúl