LinkTW and LinkTWM Programs for computing Linking numbers, Twist and Writhe for cyclic annulenes.
View DatasetRzepa, Henry S.;Rappaport, Shay
Description
Higher twisted (Möbius) annulenes can be characterised by topological invariants such as the linking number Lk and related by the Cãlugãreanu/Fuller theorem to twist and writhe by the expression Lk = Tw + Wr Programs to compute these properties are available here. The source codes are LinkTW.cpp and LinkTWM.cpp. The former code should be used for systems with an even linking number and the latter for systems with an odd linking number. The file Calculus.cpp, is also needed.
Citations (1)
- https://doi.org/10.1039/d0cc04190dOpenAlex
Cited on 01 January 2020
Weight: 1.64
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Publication Details
Subfield
Artificial Intelligence
Field
Computer Science
Domain
Physical Sciences
Confidence Score
77%
Source
Open Alex
Keywords
Computational Chemistry