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In addition to the SN2 channels (Y- + CH3X/SiH3X), we report reaction enthalpies for proton abstraction (HX + CH2Y-/SiH2Y-), hydride substitution (H- + CH2XY/SiH2XY), XH···Y- complex formation (XH···Y- + 1CH2/1SiH2), and halogen abstraction (XY + CH3-/SiH3- and XY- + CH3/SiH3).The conversion of biomass into green fuels and chemicals is of great societal interest. Engineers have been designing new cellulase enzymes for the breakdown of otherwise insoluble cellulose materials. A barrier to the rational design of new enzymes has been our la
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