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Showing 1 to 1 of 1 for “"Nonstatistical Dynamics"”.
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Computational Analysis of Molecules and Chemical Reactions from Cheminformatic Databases
… of competing transition states. Molecular dynamics approaches can provide answers but are computationally very expensive. In Chapter 1, a new ‘ValleyRidge’ algorithm has been developed which predicts the major products in bifurcating organic reactions with a negligible computational cost. …