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Chemistry & Biochemistry Graduate Theses & Dissertations (1986-2018)

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Sum Over Histories Representation Of Chemical Kinetics: An Interpretive And Predictive Method For Modeling Chemical Kinetics Using Time-Dependent Pathways, Shirong Bai Jan 2018

Sum Over Histories Representation Of Chemical Kinetics: An Interpretive And Predictive Method For Modeling Chemical Kinetics Using Time-Dependent Pathways, Shirong Bai

Chemistry & Biochemistry Graduate Theses & Dissertations (1986-2018)

Chemical kinetics can be viewed as an intricate network of inter-related chemical reactions that work cooperatively to convert reagent species into product species. The network is in general time dependent reacting the non-steady state nature of the chemistry. When it comes to interpreting and predicting chemical kinetics, the history of chemical moieties can play vital roles. In order to study the histories of chemical substances using time-dependent chemical network, this thesis focuses on developing a Sum Over Histories Representation (SOHR for short) of chemical kinetics.

The description of time-dependent chemistry of a reaction network is provided by chemical pathways defined ...