Browsing MKOPSC Process Safety Symposium by Subject "Chemical Reactivity"

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    • Application of Ab initio Principles for Prediction of Chemical Reactivity 
      Saraf, S. R.; Rogers, W. J.; Mannan, M. S (Mary Kay O'Connor Process Safety Center; Texas &M University. Libraries, 2000)
      To simulate the behavior of a chemical reaction or unit operation, thermodynamic, kinetic or mechanistic information is necessary. Such data are usually obtained from direct experimental measurements, empirical correlations, ...