메뉴 건너뛰기




Volumn 40, Issue 1, 2000, Pages 135-146

Systematic Enumeration of Nonrigid Isomers with Given Ligand Symmetries

Author keywords

[No Author keywords available]

Indexed keywords


EID: 0010758197     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci990072d     Document Type: Article
Times cited : (7)

References (41)
  • 1
    • 51649146515 scopus 로고
    • Kombinatorische Anzahlbestimmungen für Gruppen, Graphen und chemische Verbindungen
    • Pólya, G. Kombinatorische Anzahlbestimmungen für Gruppen, Graphen und chemische Verbindungen (Combinatorial Enumeration of Groups, Graphs, and Chemical Compounds). Acta Math. 1937, 68, 145-254.
    • (1937) Acta Math. , vol.68 , pp. 145-254
    • Pólya, G.1
  • 2
    • 0000363837 scopus 로고
    • The theory of group-reduced distributions
    • Redfield, J. H. The theory of group-reduced distributions. Am. J. Math. 1927, 49, 433-455.
    • (1927) Am. J. Math. , vol.49 , pp. 433-455
    • Redfield, J.H.1
  • 3
    • 84960615722 scopus 로고
    • The enumeration of locally restricted graphs (I)
    • Read, R. C. The enumeration of locally restricted graphs (I). J. London Math. Soc. 1959, 34, 417-436.
    • (1959) J. London Math. Soc. , vol.34 , pp. 417-436
    • Read, R.C.1
  • 4
    • 84960582409 scopus 로고
    • The enumeration of locally restricted graphs (II)
    • Read, R. C. The enumeration of locally restricted graphs (II). J. London Math. Soc. 1960, 35, 344-351.
    • (1960) J. London Math. Soc. , vol.35 , pp. 344-351
    • Read, R.C.1
  • 5
    • 0001387586 scopus 로고
    • The use of s-functions in combinatorial analysis
    • Read, R. C. The use of s-functions in combinatorial analysis. Can. J. Math. 1968, 20, 808-841.
    • (1968) Can. J. Math. , vol.20 , pp. 808-841
    • Read, R.C.1
  • 6
    • 0001512348 scopus 로고
    • Isomers and isomerization: Elements of Redfield's combinatorial theory
    • Davidson, R. A. Isomers and isomerization: Elements of Redfield's combinatorial theory. J. Am. Chem. Soc. 1981, 103, 312-314.
    • (1981) J. Am. Chem. Soc. , vol.103 , pp. 312-314
    • Davidson, R.A.1
  • 7
    • 0000994936 scopus 로고
    • Doppelnebenklassen als Klassenbegriff und Nomenklaturprinzip für Isomere und ihre Abzählung
    • Ruch, E.; Hässelbarth, W.; Richter, B. Doppelnebenklassen als Klassenbegriff und Nomenklaturprinzip für Isomere und ihre Abzählung (Double Cosets as Class Concept and Nomenclature Principle of Isomers and Their Enumeration). Theor. Chim. Acta 1970, 19, 288-300.
    • (1970) Theor. Chim. Acta , vol.19 , pp. 288-300
    • Ruch, E.1    Hässelbarth, W.2    Richter, B.3
  • 8
    • 85047670680 scopus 로고
    • Double cosets in chemistry and physics
    • Ruch, E.; Klein, D. J. Double cosets in chemistry and physics. Theor. Chim. Acta 1983, 63, 447-472.
    • (1983) Theor. Chim. Acta , vol.63 , pp. 447-472
    • Ruch, E.1    Klein, D.J.2
  • 9
    • 0001296536 scopus 로고
    • Isomer enumeration methods
    • Rouvray, D. H. Isomer enumeration methods. Chem. Soc. Rev. 1974, 3, 355-372.
    • (1974) Chem. Soc. Rev. , vol.3 , pp. 355-372
    • Rouvray, D.H.1
  • 11
    • 0000134810 scopus 로고
    • Application of combinatorics and graph theory to spectroscopy and quantum chemistry
    • Balasubramanian, K. Application of combinatorics and graph theory to spectroscopy and quantum chemistry. Chem. Rev. 1985, 85, 599-618.
    • (1985) Chem. Rev. , vol.85 , pp. 599-618
    • Balasubramanian, K.1
  • 15
    • 0032222231 scopus 로고    scopus 로고
    • Subduction of Q-conjugacy representations and characteristic monomials for combinatorial enumeration
    • Fujita, S. Subduction of Q-conjugacy representations and characteristic monomials for combinatorial enumeration. Theor. Chem. Acc. 1998, 99, 224-230.
    • (1998) Theor. Chem. Acc. , vol.99 , pp. 224-230
    • Fujita, S.1
  • 16
    • 0000239986 scopus 로고    scopus 로고
    • Markaracter tables and Q-conjugacy character tables for cyclic subgroups. An application to combinatorial enumeration
    • Fujita, S. Markaracter tables and Q-conjugacy character tables for cyclic subgroups. An application to combinatorial enumeration. Bull. Chem. Soc. Jpn. 1998, 71, 1587-1596.
    • (1998) Bull. Chem. Soc. Jpn. , vol.71 , pp. 1587-1596
    • Fujita, S.1
  • 17
    • 0000265545 scopus 로고    scopus 로고
    • Maturity of finite groups. An application to combinatorial enumeration of isomers
    • Fujita, S. Maturity of finite groups. An application to combinatorial enumeration of isomers. Bull. Chem. Soc. Jpn. 1998, 71, 2071-2080.
    • (1998) Bull. Chem. Soc. Jpn. , vol.71 , pp. 2071-2080
    • Fujita, S.1
  • 18
    • 0001045552 scopus 로고    scopus 로고
    • Inherent automorphism and Q-conjugacy character tables of finite groups. An application to combinatorial enumeration of isomers
    • Fujita, S. Inherent automorphism and Q-conjugacy character tables of finite groups. An application to combinatorial enumeration of isomers. Bull. Chem. Soc. Jpn. 1998, 71, 2309-2321.
    • (1998) Bull. Chem. Soc. Jpn. , vol.71 , pp. 2309-2321
    • Fujita, S.1
  • 19
    • 0032221817 scopus 로고    scopus 로고
    • Direct subduction of Q-conjugacy representations to give characteristic monomials for combinatorial enumeration
    • Fujita, S. Direct subduction of Q-conjugacy representations to give characteristic monomials for combinatorial enumeration. Theor. Chem. Acc. 1998, 99, 404-410.
    • (1998) Theor. Chem. Acc. , vol.99 , pp. 404-410
    • Fujita, S.1
  • 20
    • 0032939787 scopus 로고    scopus 로고
    • Characteristic monomial tables for enumeration of achiral and chiral isomers
    • Fujita, S. Characteristic monomial tables for enumeration of achiral and chiral isomers. Bull. Chem. Soc. Jpn. 1999, 72, 13-20.
    • (1999) Bull. Chem. Soc. Jpn. , vol.72 , pp. 13-20
    • Fujita, S.1
  • 21
    • 0000398452 scopus 로고
    • The number of graphs with a given automorphism group
    • Sheehan, J. The number of graphs with a given automorphism group. Can. J. Math. 1968, 20, 1068-1076.
    • (1968) Can. J. Math. , vol.20 , pp. 1068-1076
    • Sheehan, J.1
  • 22
    • 0000899272 scopus 로고
    • Substitution symmetry
    • Hässelbarth, W. Substitution symmetry. Theor. Chim. Acta 1985, 67, 339-367.
    • (1985) Theor. Chim. Acta , vol.67 , pp. 339-367
    • Hässelbarth, W.1
  • 24
    • 0002446369 scopus 로고
    • Ingnickel, D., Vedder, K., Eds.; Springer: Berlin
    • Kerber, A.; Thürlings, K.-J. In Combinatorial Theory; Ingnickel, D., Vedder, K., Eds.; Springer: Berlin, 1982; pp 191-211.
    • (1982) Combinatorial Theory , pp. 191-211
    • Kerber, A.1    Thürlings, K.-J.2
  • 25
    • 0001116125 scopus 로고
    • Double cosets and enumeration of permutational isomers of fixed symmetry
    • Brocas, J. Double cosets and enumeration of permutational isomers of fixed symmetry. J. Am. Chem. Soc. 1986, 108, 1135-1145.
    • (1986) J. Am. Chem. Soc. , vol.108 , pp. 1135-1145
    • Brocas, J.1
  • 26
    • 0000033190 scopus 로고
    • Classification of molecular symmetry by framework groups
    • Pople, J. A. Classification of molecular symmetry by framework groups. J. Am. Chem. Soc. 1980, 102, 4615-4622.
    • (1980) J. Am. Chem. Soc. , vol.102 , pp. 4615-4622
    • Pople, J.A.1
  • 27
    • 0000013696 scopus 로고
    • Table of marks and double cosets in isomer counting
    • Mead, C. A. Table of marks and double cosets in isomer counting. J. Am. Chem. Soc. 1987, 109, 2130-2137.
    • (1987) J. Am. Chem. Soc. , vol.109 , pp. 2130-2137
    • Mead, C.A.1
  • 28
    • 0002434506 scopus 로고
    • Marks of permutation groups and isomer enumeration
    • Lloyd, E. K. Marks of permutation groups and isomer enumeration. J. Math. Chem. 1992, 11, 207-222.
    • (1992) J. Math. Chem. , vol.11 , pp. 207-222
    • Lloyd, E.K.1
  • 29
    • 0001420323 scopus 로고
    • Subduction of coset representations. An application to enumeration of chemical structures
    • Fujita, S. Subduction of coset representations. An application to enumeration of chemical structures. Theor. Chim. Acta 1989, 76, 247-268.
    • (1989) Theor. Chim. Acta , vol.76 , pp. 247-268
    • Fujita, S.1
  • 30
    • 21144479542 scopus 로고
    • Enumeration of digraphs with a given automorphism group
    • Fujita, S. Enumeration of digraphs with a given automorphism group. J. Math. Chem. 1993, 12, 173-195.
    • (1993) J. Math. Chem. , vol.12 , pp. 173-195
    • Fujita, S.1
  • 31
    • 0000121382 scopus 로고
    • The USCI approach and elementary superposition for combinatorial enumeration
    • Fujita, S. The USCI approach and elementary superposition for combinatorial enumeration. Theor. Chim. Acta 1992, 82, 473-498.
    • (1992) Theor. Chim. Acta , vol.82 , pp. 473-498
    • Fujita, S.1
  • 33
    • 85047692287 scopus 로고
    • A generalized wreath product method for the enumeration of stereo and positional isomers of polysubstituted organic compounds
    • Balasubramanian, K. A generalized wreath product method for the enumeration of stereo and positional isomers of polysubstituted organic compounds. Theor. Chim. Acta 1979, 51, 37-54.
    • (1979) Theor. Chim. Acta , vol.51 , pp. 37-54
    • Balasubramanian, K.1
  • 34
    • 0000338517 scopus 로고
    • Enumeration of non-rigid molecules by means of unit subduced cycle indices
    • Fujita, S. Enumeration of non-rigid molecules by means of unit subduced cycle indices. Theor. Chim. Acta 1990, 77, 307-321.
    • (1990) Theor. Chim. Acta , vol.77 , pp. 307-321
    • Fujita, S.1
  • 35
    • 0000870015 scopus 로고
    • The use of different figure-inventories in the enumeration of isomers derived from non-rigid parent molecules
    • Fujita, S. The use of different figure-inventories in the enumeration of isomers derived from non-rigid parent molecules. Bull. Chem. Soc. Jpn. 1990, 63, 2033-2043.
    • (1990) Bull. Chem. Soc. Jpn. , vol.63 , pp. 2033-2043
    • Fujita, S.1
  • 36
    • 0025966546 scopus 로고
    • Promolecules for characterizing stereochemical relationships in non-rigid molecules
    • Fujita, S. Promolecules for characterizing stereochemical relationships in non-rigid molecules. Tetrahedron 1991, 47, 31-46.
    • (1991) Tetrahedron , vol.47 , pp. 31-46
    • Fujita, S.1
  • 37
    • 0000836384 scopus 로고
    • ∞h. Combinatorial enumeration and stereochemical properties
    • ∞h. Combinatorial enumeration and stereochemical properties. J. Chem. Inf. Comput. Sci. 1992, 32, 354-363.
    • (1992) J. Chem. Inf. Comput. Sci. , vol.32 , pp. 354-363
    • Fujita, S.1
  • 38
    • 85037503421 scopus 로고    scopus 로고
    • note
    • We use the word "methyl ligand" in place of "methyl group" because the word "group" is used as a mathematical term in this paper.
  • 39
    • 85037502037 scopus 로고    scopus 로고
    • note
    • The inverses of the mark tables have been reported in Appendix B of ref 32.
  • 40
    • 85037516711 scopus 로고    scopus 로고
    • note
    • The USCI tables have been reported in Appendix D of ref 32.
  • 41
    • 85037519955 scopus 로고    scopus 로고
    • note
    • The USCI-CF tables have been reported in Appendix E of ref 32.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.