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By K. P. Lawley

The Advances in Chemical Physics sequence presents the chemical physics and actual chemistry fields with a discussion board for serious, authoritative reviews of advances in each region of the self-discipline. jam-packed with state of the art study suggested in a cohesive demeanour now not stumbled on in different places within the literature, each one quantity of the Advances in Chemical Physics sequence serves because the excellent complement to any complicated graduate type dedicated to the learn of chemical physics.

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Additional resources for Advances in Chemical Physics: Molecular Scattering: Physical and Chemical Applications, Volume 30

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Entropy deficiencies may also be defined in terms of differences between averages of the surprisals for actual and for equilibrium (microcanonical) probability distributions. , 1972a, b to analysis of product energy distributions and to the definition of apparent temperatures for non-equilibrium product distributions. Their procedure may be illustrated with a treatment of vibrational distribution of products, as measured in infrared chemiluminescence studies. The quantities measurable in this case are E and E,.

0 eV. 55 eV. These quantum mechanical (QM) results have been compared (Diestler and Karplus, 1971) with c1assic:al mechanical (CM) ones obtained from Monte Carlo averages of classical trajectories with the same potential. 07eV lower than the CM one, and QM total probabilities of reactions are consistently larger. The CM results did not show the sharp QM dip present just above threshold for vibrational excitation of products. The same quantum mechanical computational approach has been used (Diestler, 1972)to study the influence of variations of a potential surface on reaction probabilities.

0 eV. 55 eV. These quantum mechanical (QM) results have been compared (Diestler and Karplus, 1971) with c1assic:al mechanical (CM) ones obtained from Monte Carlo averages of classical trajectories with the same potential. 07eV lower than the CM one, and QM total probabilities of reactions are consistently larger. The CM results did not show the sharp QM dip present just above threshold for vibrational excitation of products. The same quantum mechanical computational approach has been used (Diestler, 1972)to study the influence of variations of a potential surface on reaction probabilities.

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