Abstract
The chemically interesting potential energy surfaces (PES) are considered on which the conditions underlying application of structural stability principle and Morse inequalities are violated. The possibility of treatment of singular branching points on a PES slope in terms of intrinsic reaction curves (IRC) is discussed.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Basilevsky MV (1977) Chem Phys 24:81
Fukui K, Kato S, Fujimoto H, (1975) J Am Chem Soc 97:1
Panĉir J (1975) Collect Czech Commun 40:1112
Basilevsky MV, Shamov AG, (1981) Chem Phys 60:347
Miller WH, Handy NC, Adams JE (1980) J Chem Phys 72:99
Fernández A, Sinanoglu O (1984) Theor Chim Acta 65:179
Fernández A, Sinanoglu O (1984) Theor Chim Acta 66:147
Fernández A (1985) Theor Chim Acta 67:229
Liotard D (1983) In: Maruani J, Serre J (eds) Symmetries and properties of non-rigid molecules: a comprehensive survey. Studies in Physical and Theoretical Chemistry, vol 23, Elsevier, Amsterdam
Mezey PG (1981) Theor Chim Acta 60:97; (1985) Theor Chim Acta 67:115
Mezey PG (1981) Chem Phys Lett 82:100
Arnold VI (1978) The advanced theory of ordinary differential equations, chap 3. Nauka, Moscow
Milnor J (1973) Morse theory. Annals of Mathematical Studies, vol 51. Princeton University Press, Princeton
Poston T, Stewart I (1978) Catastrophe theory and its applications. Pitman, London
Basilevsky MV (1982) Chem Phys 67:337
Minyaev RM, Minkin VI (1985) J Org Chem 21:1361 (in Russian)
Fernández A (1985) Theor Chim Acta 68:285
Valtazanos P, Ruedenberg K (1986) Theor Chim Acta 69:281
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Basilevsky, M.V. The structural stability principle and branching points on multidimensional potential energy surfaces. Theoret. Chim. Acta 72, 63–67 (1987). https://doi.org/10.1007/BF00526555
Received:
Revised:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF00526555