المؤلفون: Mohammed Bin Jassar, Carine Michel, Sara Abada, Theodorus De Bruin, Sylvain Tant, Carlos Nieto-Draghi, Stephan N. Steinmann

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Developmental Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, solid electrolyte interphase, electrolyte species like, computational cost compared, chemical reactivity related, based molecular dynamics, model major reactions, additive vinylene carbonate, 32 tested reactions, ethylene carbonate ), four semiempirical methods, 2 , hybrid system gfn, ethylene carbonate, semiempirical methods, hybrid system, decomposition reactions, system heterogeneity, used solvent, used salt, surface carbonates, solvent 1, simulations suggest, significantly less, severe reconstruction

Relation: https://figshare.com/articles/journal_contribution/Lessons_Learned_from_Semiempirical_Methods_for_the_Li-Ion_Battery_Solid_Electrolyte_Interphase/25257094

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c08176.s001
https://figshare.com/articles/journal_contribution/Lessons_Learned_from_Semiempirical_Methods_for_the_Li-Ion_Battery_Solid_Electrolyte_Interphase/25257094

المؤلفون: Mohammed Bin Jassar, Carine Michel, Sara Abada, Theodorus De Bruin, Sylvain Tant, Carlos Nieto-Draghi, Stephan N. Steinmann

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Developmental Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, solid electrolyte interphase, electrolyte species like, computational cost compared, chemical reactivity related, based molecular dynamics, model major reactions, additive vinylene carbonate, 32 tested reactions, ethylene carbonate ), four semiempirical methods, 2 , hybrid system gfn, ethylene carbonate, semiempirical methods, hybrid system, decomposition reactions, system heterogeneity, used solvent, used salt, surface carbonates, solvent 1, simulations suggest, significantly less, severe reconstruction

Relation: https://figshare.com/articles/journal_contribution/Lessons_Learned_from_Semiempirical_Methods_for_the_Li-Ion_Battery_Solid_Electrolyte_Interphase/25257094

الاتاحة: https://doi.org/10.1021/acs.jpcc.3c08176.s001