Literature DB >> 9506929

Quantum theory of chemical reaction dynamics

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Abstract

It is now possible to use rigorous quantum scattering theory to perform accurate calculations on the detailed state-to-state dynamics of chemical reactions in the gas phase. Calculations on simple reactions, such as H + D2 --> HD + D and F + H2 --> HF + H, compete with experiment in their accuracy. Recent advances in theory promise to extend such accurate predictions to more complicated reactions, such as OH + H2 --> H2O + H, and even to reactions of molecules on solid surfaces. New experimental techniques for probing reaction transition states, such as negative-ion photodetachment spectroscopy and pump-probe femtosecond spectroscopy, are stimulating the development of new theories.

Entities:  

Year:  1998        PMID: 9506929     DOI: 10.1126/science.279.5358.1879

Source DB:  PubMed          Journal:  Science        ISSN: 0036-8075            Impact factor:   47.728


  3 in total

1.  Probing the transition state via photoelectron and photodetachment spectroscopy of H(3)O(-).

Authors:  Dong H Zhang; Minghui Yang; Michael A Collins; Soo-Y Lee
Journal:  Proc Natl Acad Sci U S A       Date:  2002-08-19       Impact factor: 11.205

2.  [What Paul Sudeck already suspected: from Sudeck's disease to complex regional pain syndrome].

Authors:  U Köster; M Stanton-Hicks; C Maihöfner
Journal:  Schmerz       Date:  2012-08       Impact factor: 1.107

Review 3.  Fifty years of nucleophilic substitution in the gas phase.

Authors:  Roland Wester
Journal:  Mass Spectrom Rev       Date:  2021-05-31       Impact factor: 9.011

  3 in total

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