Address of the author Top Some numerical examples using SYMMETRICA References

References

 [1]
K. Balasubramanian. Applications of Combinatorics and Graph Theory to Spectroscopy and Quantum Chemistry. Chemical Reviews, 85:599-618, 1985.
 [2]
K. Balasubramanian. Enumeration of isomers of polysubstituted C60 and applications to NMR. Chemical Physics Letters, 182:257-262, 1991.
 [3]
K. Balasubramanian. Nuclear-spin statistics of C60, C60H60 and C60D60. Chemical Physics Letters, 183:292-296, 1991.
 [4]
K. Balasubramanian. NMR and ESR predictions for the tetravalent C28 fullerene. Chemical Physics Letters, 197:55-58, 1992.
 [5]
K. Balasubramanian. Enumeration of Chiral and Positional Isomers of Substituted Fullerene Cages (C20- C70). Journal of Physical Chemistry, 97:6990-6998, 1993.
 [6]
K. Balasubramanian. Enumeration of isomers of substituted fullerene cages C20- C50. Chemical Physics Letters, 202:399-405, 1993.
 [7]
K. Balasubramanian. Enumeration of chiral and achiral edge and face substitutions of buckminsterfullerene. Chemical Physics Letters, 237:229-238, 1995.
 [8]
C. Benecke, R. Grund, R. Hohberger, A. Kerber, R. Laue, and T. Wieland. Chemical Isomerism, a Challange for Algebraic Combinatorics and for Computer Science. In G. Cohen, M. Giusti, and T. Mora, editors, Applied Algebra, Algebraic Algorithms and Error-Correcting Codes, 11th International Symposium, AAECC-11, Paris, France, July 1995, volume 948 of Lecture Notes in Computer Science, pages 4-20. Springer, 1995.
 [9]
W.O.J. Boo. An Introduction to Fullerene Structures. Journal of Chemical Education, 69:605-609, 1992.
 [10]
J. Dettmann. Fullerene. Die Buckyballs erobern die Chemie. Birkhäuser, Basel, Boston, Berlin, 1994. ISBN 3-7643-2947-5.
 [11]
R. Ettl, I. Chao, F. Diederich, and R.L. Whetten. Isolation of C76, a chiral (D2) allotrope of carbon. Nature, 353:149 - 153, 1991.
 [12]
P.W. Fowler. How unusual is C60? Magic numbers for carbon clusters. Chemical Physics Letters, 131:444 - 450, 1986.
 [13]
P.W. Fowler and J.I. Steer. The Leapfrog Principle: A Rule for Electron Counts of Carbon Clusters. Journal of the Chemical Society, Chemical Communications, pages 1403 - 1405, 1987.
 [14]
S. Fujita. Unit Subduced Cycle Indices with and without Chirality Fittingness for Ih Group. An Application to Systematic Enumeration of Dodecahedrane Derivatives. Bulletin of the Chemical Society of Japan, 63:2759-2769, 1990.
 [15]
S. Fujita. Soccerane Derivatives of Given Symmetries. Bulletin of the Chemical Society of Japan, 64:3215-3223, 1991.
 [16]
S. Fujita. Symmetry and Combinatorial Enumeration in Chemistry. Springer Verlag, Berlin, Heidelberg, New York, London, Paris Tokyo, Hong Kong, Barcelona, Budapest, 1991. ISBN 3-540-54126-8.
 [17]
GAP. Groups, Algorithms and Programming. Copyright by "Lehrstuhl D für Mathematik, RWTH Aachen, Templergraben 64".
 [18]
A. Kerber. Algebraic Combinatorics via Finite Group Actions. B.I. Wissenschaftsverlag, Mannheim, Wien, Zürich, 1991. ISBN 3-411-14521-8.
 [19]
D.J. Klein, T.G. Schmalz, G.E. Hite, and W.A. Seitz. Resonance in C60, Buckminsterfullerene. Journal American Chemical Society, 108:1301 - 1302, 1986.
 [20]
W. Krätschmer, L.D. Lamb, K. Fostiropoulos, and D.R. Huffman. Solid C60: a new form of carbon. Nature, 347:354 - 358, 1990.
 [21]
H.W. Kroto, J.R. Heath, S.C. O'Brien, R.F. Curl, and R.E. Smalley. C60: Buckminsterfullerene. Nature, 318:162 - 163, 1985.
 [22]
G. Pólya. Kombinatorische Anzahlbestimmungen für Gruppen, Graphen und chemische Verbindungen. Acta Mathematica, 68:145 - 254, 1937.
 [23]
SYMMETRICA. A program system devoted to representation theory, invariant theory and combinatorics of finite symmetric groups and related classes of groups. Copyright by "Lehrstuhl II für Mathematik, Universität Bayreuth, 95440 Bayreuth". Distributed via anonymous ftp 132.180.16.20 in dist/SYM.tar.Z.
 [24]
R. Taylor, J.P. Hare, A.K. Abdul-Sada, and H.W. Kroto. Isolation, Separation and Characterisation of the Fullerenes C60 and C70: The Third Form of Carbon. Journal of the Chemical Society, Chemical Communications, pages 1423 - 1425, 1990.

harald.fripertinger "at" uni-graz.at, May 10, 2016

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