Chapter 4 Classification of control space parameters for topological studies of reactivity and chemical reactions
作者： Bernard Silvi , Isabelle Fourré , Mohammad Esmail Alikhani
DOI: 10.1016/S1380-7323(07)80005-7
关键词: Dynamical system (definition) 、 Reactivity (chemistry) 、 Chemical physics 、 Structural stability 、 Computational chemistry 、 Chemical reaction 、 Control space 、 Chemistry
摘要: Abstract The gradient dynamical system and the catastrophe theories are two very useful complementary mathematical tools for study of energetic mechanisms chemical reactions. We propose a classification potential functions control space parameters. It emerges that structural stability is central concept understanding reactions reactivity.
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