This review comprehensively examines the computational techniques employed to elucidate the reactivity, selectivity, and mechanistic pathways of vinyl sulfoxonium ylide. By delving into a spectrum of reactions ranging from insertion and cycloaddition to annulation, multicomponent reactions, and carbene-mediated transformations, we illustrate the pivotal role of computational techniques in understanding the mechanism, reactivity and selectivity. The synergy between experimental and computational approaches is emphasized as a driving force for future breakthroughs and the continuous evolution of this dynamic and emerging field.

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