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physics.chem-ph2024
Topological Woodward-Hoffmann classification for cycloadditions in polycyclic aromatic azomethine ylides
Juan Li, Amir Mirzanejad, Wen-Han Dong +13
The study of cycloaddition mechanisms is central to the fabrication of extended sp2 carbon nanostructures. Reaction modeling in this context has focused mostly on putative, energet…
physics.chem-ph2018★ 6 cited
A topological classification of molecules and chemical reactions with a perplectic structure
Lukas Muechler
In this paper, a topological classification of molecules and their chemical reactions is proposed on a single particle level . We consider zero-dimensional electronic Hamiltonians…