BioinformaticsbioRxiv
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A Compact Matrix Representation for Hydrocarbon and Its Applications on Monoterpene Carbocation Rearrangement Elementary Steps
Abstract
This work proposes a compact matrix-based representation for hydrocarbon carbocations ([CxHy]m+). In addition, its application is explored for the elementary steps of non-stereoisomeric [C10H17]+ rearrangement.
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