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Journal of Molecular Graphics & Modelling|July 20, 2024
Research on the formation and evolution mechanism of cracks in laser stealth dicing of silicon carbide crystalsLei Han, Quanlong Wang, Chenglong Ma, et al.Journal of Molecular Graphics & Modelling|July 5, 2024
Structural characterization and keto-enol tautomerization of 4-substituted pyrazolone derivatives with DFT approachSerpil Eryilmaz, Emine BagdatliJournal of Molecular Graphics & Modelling|September 4, 2024
Research on prediction of human oral bioavailability of drugs based on improved deep forestLei Ma, Yukun Yan, Shaoxing Dai, et al.Journal of Molecular Graphics & Modelling|June 18, 2024
Mechanical and thermoelectric properties of ZrX2 and HfX2 (X = S and Se) from Van der Waals density-functional theoryS Ferahtia, S Benyettou, S Saib, et al.Journal of Molecular Graphics & Modelling|April 30, 2024
Interaction between hydroxymethanesulfonic acid and several organic compounds and its atmospheric significanceDong-Ping Chen, Wen Ma, Chun-Hong Yang, et al.Journal of Molecular Graphics & Modelling|May 1, 2024
Temperature effects and molecular insights towards the optimization of polyvinyl alcohol as adsorbent of organic pollutants from aqueous solutionVictoria T Adeleke, Madison LasichJournal of Molecular Graphics & Modelling|April 28, 2024
Atomistic understanding of Ti3C2 MXene membrane performance for separation of nitrate ions from aqueous solutionsZahra Tavakkoli, Peyman Mohammad Valizadeh Maleki, Jafar Azamat, et al.Journal of Molecular Graphics & Modelling|June 8, 2024
Catalytic battle of activated carbon supported transition metal atom towards adsorption and dissociation of molecular hydrogen: Progress towards quantum chemical application on renewable energy resourceAbhijit Dutta, Amit Kumar Pradhan, Paritosh MondalJournal of Molecular Graphics & Modelling|May 26, 2024
Investigating the effect of welding tool length on mechanical strength of welded metallic matrix by molecular dynamics simulationXuejin Yang, Rassol Hamed Rasheed, Sami Abdulhak Saleh, et al.Journal of Molecular Graphics & Modelling|April 20, 2024
Molecular dynamics simulation study of sodium ion structure & dynamics in water in ionic liquids electrolytes using 1-butyl-3-methyl imidazolium tetrafluoroborate and 1-butyl-3-methyl imidazolium hexafluorophosphateShrayansh Gupta, Utkarsh Gupta, Praveenkumar SappidiPageof 400