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Molecular graph eigenvectors for molecular coordinates

System Demonstration
  • Patrick W. Fowler
  • Tomaž Pisanski
  • John Shawe-Taylor
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 894)

Keywords

Adjacency Matrix Weighted Graph Molecular Graph Laplacian Matrix Buckminster Fullerene 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

References

  1. [1]
    B. Becker and G. Hotz, On The Optimal Layout of Planar Graphs with Fixed Boundary, SIAM J. Computing 16, (1987) 946–972.Google Scholar
  2. [2]
    D.E. Manolopoulos, P.W. Fowler, Molecular graphs, point groups, and fullerenes, J. Chem. Phys. 96 (1992) 7603–7614.Google Scholar
  3. [3]
    T. Pisanski, Recognizing Symmetric Graphs, presented at Graph Drawing '93. Sèvres, France, September 26–29, 1993.Google Scholar
  4. [4]
    T. Pisanski and J.S. Shawe-Taylor, Characterising Graph Drawing with Eigenvectors, Departmental Technical Report CSD-TR-93-20, Department of Computer Science, Royal Holloway, University of London, 1993.Google Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1995

Authors and Affiliations

  • Patrick W. Fowler
    • 1
  • Tomaž Pisanski
    • 2
  • John Shawe-Taylor
    • 3
  1. 1.Department of ChemistryUniversity of ExeterUK
  2. 2.Dept of Theoretical Comp Sci, IMFMUniversity of LjubljanaSlovenia
  3. 3.Dept of Comp Sci, Royal HollowayUniversity of LondonEngland

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