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• W2002124853 abstract "The methods of general and differential topology (topology ≈ “rubber geometry”) are particularly suitable for the quantum-mechanical description of nonrigid molecular systems. The concept of nuclear configuration space 3NR is replaced by a metric space M and subsequently by a topological space (M, TC) where points of nuclear geometries, as fundamental entities, are replaced by open sets. These open sets provide a quantum-mechanical description of molecular structures, reaction mechanisms, and reaction networks. Exploiting the special properties of the metric of M, the topological space (M, TC) can be provided with a differentiable manifold structure. This differentiable manifold is proposed as a common basis for both local and global analysis of reacting molecular systems." @default.
• W2002124853 created "2016-06-24" @default.
• W2002124853 creator A5056601293 @default.
• W2002124853 date "2009-07-09" @default.
• W2002124853 modified "2023-09-25" @default.
• W2002124853 title "The differentiable manifold model of quantum-chemical reaction networks" @default.
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• W2002124853 doi "https://doi.org/10.1002/qua.560240815" @default.
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