Topology-based optimization of handcuff graphs on 3D lattice

In the field of macromolecular chemistry, handcuff-shaped catenanes and pretzelanes have a conformation consisting of two distinct loops and an edge connecting them. In spatial graph theory, this shape is referred to as a handcuff graph. One topological aspect of interest in these molecular structur...

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Veröffentlicht in:Physica scripta 2024-01, Vol.99 (1), p.15221
Hauptverfasser: No, Sungjong, Oh, Seungsang, Yoo, Hyungkee
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Sprache:eng
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