Abstract
Some of the recent advances in the topological theory of molecular conformational analysis are reviewed. A formal proof is given for the continuity of energy functionals over a special “reduced” nuclear configuration space, obtained by reducing entire families of equivalent configurations to individual points of a space. The possibility for the existence of “potential defying” conformers is pointed out. Global topological transformations of the energetically important conformational domains of potential surfaces are discussed, which transformations simplify the enumeration of various conformers.
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© 1985 D. Reidel Publishing Company
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Mezey, P.G. (1985). Topological Theory of Molecular Conformations. In: Daudel, R., Korb, JP., Lemaistre, JP., Maruani, J. (eds) Structure and Dynamics of Molecular Systems. Structure and Dynamics of Molecular Systems, vol 1. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-5351-2_3
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DOI: https://doi.org/10.1007/978-94-009-5351-2_3
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