Autonomous reaction discovery using ab initio nanoreactor dynamics in combination with periodic density functional theory (DFT) computations…
The reactivity of four-membered carbocycle mechanophores, such as cyclobutane (CB), cyclobutene (CBE), and benzocyclobutene (BCB), has been explored…
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Plasmon resonance coupling is a strongly distance-dependent phenomenon that also critically depends on the spatial arrangement of its plasmonic…
Besides long established thermal and photochemical activation of chemical reactivity, mechanical forces emerged as a further tool to drive reactions.…
The chemical modification of peptides is a powerful method to enhance their pharmacological properties, including membrane permeability, metabolic…
The electronic structure of carbenes arises from the occupation of a σ and a π frontier orbital. While parent methylene possesses a triplet ground…
The flow-induced activation of mechanophores embedded in linear polymers by ultrasound (US) suffers from slow mechanochemical conversions at the…
Lithium-ion batteries (LIBs) are an essential building block for modern energy storage. The solid-electrolyte interface (SEI) is an important…
