Recent Advances in Quantum Mechanical Reactive Scattering Theory, Including Comparison of Recent Experiments with Rigorous Calculations of State-to-State Cross Sections for the H/D+H2H2/HD+H Reactions

نویسنده

  • William H. Miller
چکیده

It is well recognized that quantum mechanical reactive scattering theory provides the most complete description of an elementary bimolecular chemical reaction allowed by the basic laws of nature. Thus ever since the 1960s, when crossed molecular beam experiments opened the door to studying reactions at this most rigorous state-to-state level (la,b), there has been intense interest and effort devoted to developing the theory to the practical stage that reliable calculations can be carried out for real chemical reactions. The purpose of this review is to describe some rather dramatic progress that has been made in the theoretical methodology and its application in only the last few years. These theoretical developments have come at a very propitious time because of a variety of new experimental studies of state-to-state cross sections for the fundamental reactions

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تاریخ انتشار 2005