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29 March 2024
 
  » pubmed » pmid12097040

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Quantum effects in the differential cross Ssctions for the insertion reaction N(2D) + H2
Nadia Balucani ; Laura Cartechini ; Giovanni Capozza ; Enrico Segoloni ; Piergiorgio Casavecchia ; Gian Gualberto Volpi ; F Javier Aoiz ; Luis Baņares ; Pascal Honvault ; Jean-Michel Launay ;
Date 1 Jul 2002
Journal Phys Rev Lett, 89 (1), 013201
AbstractThe quantum (QM) scattering theory has been difficult to apply to the family of insertion reactions and the approximate quasiclassical trajectory (QCT) method or statistical calculations were mostly applied. In this Letter, we compare the experimental differential cross sections for the title insertion reaction with the results of QM and QCT calculations on an ab initio potential energy surface. The QM results reproduce well the crossed beam experiment, while a small, but significant, difference in the QCT ones points to quantum effects, possibly the occurrence of tunneling through the combined potential and centrifugal barrier.
Source PubMed, pmid12097040
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