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Journal of Molecular Modeling|November 24, 2022
Diffusion coefficients of electrorheological complex (dusty) plasmasMuhammad Asif Shakoori, Maogang He, Aamir Shahzad, et al.Journal of Molecular Modeling|December 10, 2022
Quasi-planar Co atom-doped boron cluster: CoB192Qi Liang Lu, Xiao Dong Liu, Qi Quan Luo, et al.Journal of Molecular Modeling|October 17, 2020
Identification of promising molecules against MurD ligase from Acinetobacter baumannii: insights from comparative protein modelling, virtual screening, molecular dynamics simulations and MM/PBSA analysisRajat Kumar Jha, Rameez Jabeer Khan, Gizachew Muluneh Amera, et al.Journal of Molecular Modeling|October 14, 2020
Reactive molecular dynamics simulation of thermal decomposition for nitromethane/nano-aluminum compositesXin-Ke Wang, Ying Zhao, Feng-Qi Zhao, et al.Journal of Molecular Modeling|October 22, 2020
The conformational change of Plukenetia conophora oil derivatives and their acidic resistance, intra-fragment interactions, stability in different solvent mediaAdebayo A Adeniyi, Cecilia O Akintayo, Emmanuel T Akintayo, et al.Journal of Molecular Modeling|October 15, 2020
Prediction of injection molding parameters for symmetric spur gearSandeep C Dhaduti, S G Sarganachari, Arun Y Patil, et al.Journal of Molecular Modeling|October 28, 2020
The antioxidant capacity of an imidazole alkaloids family through single-electron transfer reactionsAdriana Pérez-González, Erwin García-Hernández, Ernesto Chigo-AnotaJournal of Molecular Modeling|October 24, 2020
van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular interactionsTian Lu, Qinxue ChenJournal of Molecular Modeling|October 24, 2020
Computational study on the mechanism of the reaction of benzenesulfonyl azides with oxabicyclic alkenesDaniel Aboagye Akuamoah, Richard Tia, Evans AdeiJournal of Molecular Modeling|October 24, 2020
On the Ruhemann's Purple electronic spectrum: the role of torsion angle and coordination with Zn(II)Gerlânia F Rodrigues, Eduardo C AguiarPageof 696