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Progress toward attaining an accurate solution of the Schr”dinger equation has occurred in spurts, with fully convergent solutions of a number of systems having appeared recently. One approach that has made this achievement possible is described: the use of the generalized Newton variational principle in which the reactive amplitude density is expanded variationally in a basis set of integral functions. D.G. Truhlar, D.W. Schwenke, D.J. Kouri, "Quantum dynamics of chemical reactions by c

Written byMarye Anne Fox
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D.G. Truhlar, D.W. Schwenke, D.J. Kouri, "Quantum dynamics of chemical reactions by converged algebraic variational calculations," Journal of Physical Chemistry, 94, 7346-52, 20 September 1990. (University of Minnesota, Minneapolis; NASA, Moffett Field, Calif.; University of Houston)

Recent progress in molecular biology and in high-field pulse-programmed nuclear magnetic resonance spectroscopy have allowed accelerated progress in mapping the biosynthesis of important biologically active molecules. A summary describes how these tools have provided recent insight into the routes nature uses to assemble B12 and its coenzymes.

A.I. Scott, "Mechanistic and evolutionary aspects of vitamin B12 biosynthesis," Accounts of Chemical Research, 23, 308-17, September 1990. (Texas A&M University, College Station)

One interesting contribution from the Ninth International Conference on the Chemistry of the Organic Solid State (appearing in a two-volume issue) shows how point-to-point calculation of packing potential energy allows calculation of reaction paths and differential activation energies for solid state reactions like that ...

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