Abstract
A countable set of distinguished fundamental reaction mechanisms on a potential surface serves as the set of generators for the fundamental group of reaction mechanisms. The effects of a change in the upper limit for energy on such groups are described with the aid of a lower semilattice, introduced into the family of all fundamental groups of reaction mechanisms, supported by the given potential energy surface. The algebraic structure of all reaction paths is described with the aid of groupoids and various subgroupoids and semigroups derived from them.
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Mezey, P. G.: Theoret. Chim. Acta (Berl.) 54, 95 (1980)
Mezey, P. G.: Int. J. Quantum Chem., 22, 101 (1982)
Mezey, P. G.: J. Chem. Phys., 78, 6182 (1983)
Parr, R. G.: Ann. Rev. Phys. Chem., 34, 631 (1983)
Hall, G. G.: Int. J. Quantum Chem., Symp. 17, 425 (1983)
Mezey, P. G.: Theoret. Chim. Acta (Berl.), 67, 115 (1985)
Rotman, J. J.: The theory of groups. Allyn and Bacon 1965
Malćev, A. I.: Algebraic systems. Berlin: Springer Verlag 1973
Spanier, E. H.: Algebraic topology, New York: McGraw-Hill 1966
Mezey, P. G.: Theoret Chim. Acta (Berl.) 60, 97 (1981)
Mezey, P. G.: The topological model of non-rigid molecules and reaction mechanisms, in: Symmetries and properties of non-rigid molecules: A comprehensive survey, Maruani, J., Serre, J., Eds. Amsterdam: Elsevier, 1982; Mezey, P. G., to be published
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Mezey, P.G. The topology of energy hypersurfaces IV. Generator sets for the fundamental group of reaction mechanisms and the complete set of reaction paths. Theoret. Chim. Acta 67, 91–113 (1985). https://doi.org/10.1007/BF00547897
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DOI: https://doi.org/10.1007/BF00547897