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Volumn 45, Issue 2, 2009, Pages 386-405

Optimized algorithm to find all symmetry-distinct maps of a graph: Application to topology-driven molecular design

Author keywords

Allotropes; Carbon; Graph embeddings; Molecular design; Topology

Indexed keywords


EID: 58149136996     PISSN: 02599791     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10910-008-9413-4     Document Type: Article
Times cited : (1)

References (15)
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    • Ceulemans, A.1    Lijnen, E.2
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    • E. Lijnen A. Ceulemans 2004 Oriented 2-cell embeddings of a graph and their symmetry classification: generating algorithms and case study of the Möbius-Kantor graph J. Chem. Inf. Comput. Sci. 44 1552 1564
    • (2004) J. Chem. Inf. Comput. Sci. , vol.44 , pp. 1552-1564
    • Lijnen, E.1    Ceulemans, A.2
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    • (1960) Am. Math. Soc. Not. , vol.7 , pp. 646
    • Edmonds, J.1
  • 7
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    • note
    • In Ref. 5 we describe how the original topological map can be retrieved from a rotation scheme by a procedure called face-tracking
  • 8
    • 28944451789 scopus 로고    scopus 로고
    • Topology-aided molecular design: The Platonic molecules of genera 0 to 3
    • 6
    • E. Lijnen A. Ceulemans 2005 Topology-aided molecular design: the Platonic molecules of genera 0 to 3 J. Chem. Inf. Model. 45 6 1719 1726
    • (2005) J. Chem. Inf. Model. , vol.45 , pp. 1719-1726
    • Lijnen, E.1    Ceulemans, A.2
  • 9
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    • Enumerating 2-cell imbeddings of connected graphs
    • B.P. Mull, R.G. Rieper, A.T. White, Enumerating 2-cell imbeddings of connected graphs. Proc. Am. Math. Soc. 103, 321-330 (1988)
    • (1988) Proc. Am. Math. Soc. , vol.103 , pp. 321-330
    • Mull, B.P.1    Rieper, R.G.2    White, A.T.3
  • 10
    • 0041599281 scopus 로고    scopus 로고
    • Negative curvature surfaces in chemical structures
    • R.B. King 1998 Negative curvature surfaces in chemical structures J. Chem. Inf. Comput. Sci. 38 180 188
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 180-188
    • King, R.B.1
  • 11
    • 4744359111 scopus 로고    scopus 로고
    • The tetrakisoctahedral group of the Dyck graph and its molecular realization
    • A. Ceulemans E. Lijnen L.J. Ceulemans P.W. Fowler 2004 The tetrakisoctahedral group of the Dyck graph and its molecular realization Mol. Phys. 102 1149 1163
    • (2004) Mol. Phys. , vol.102 , pp. 1149-1163
    • Ceulemans, A.1    Lijnen, E.2    Ceulemans, L.J.3    Fowler, P.W.4
  • 12
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    • Symmetries of hexagonal molecular graphs on the torus
    • D. Marušič T. Pisanski 2000 Symmetries of hexagonal molecular graphs on the torus Croat. Chem. Acta 73 969 981
    • (2000) Croat. Chem. Acta , vol.73 , pp. 969-981
    • Marušič, D.1    Pisanski, T.2
  • 15
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    • the symmetry of the Dyck graph: Group structure and molecular realization
    • ed. by M. Diudea (Nova Publishers, New York)
    • E. Lijnen, A. Ceulemans, The symmetry of the Dyck graph: group structure and molecular realization. in Nanostructures: Novel Architecture, ed. by M. Diudea (Nova Publishers, New York, 2005)
    • (2005) Nanostructures: Novel Architecture
    • Lijnen, E.1    Ceulemans, A.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.