MENÜ MENÜ  

cover

Reactive scattering for H- + H2 and H+ + H2 and its isotopologues. Classical versus Quantum investigation

Dequan Wang

ISBN 978-3-8325-4295-5
139 pages, year of publication: 2016
price: 34.50 €
The reactive scattering for H- + H2 and H+ + H2 and its isotopologues were investigated using different methods. The studies aimed at providing insights into elementary reactions, and go beyond these to more complexchemical reactions.

By comparison of the reaction probabilities of H+ + H2 using adiabatic and non-adiabatic methods, it was found that, at low collision energies, the reaction preferentially occurs adiabatically, but at higher collision energies non-adiabatic effects should be taken into account.

For H- + H2 and its isotopologues, we can see that, at low collision energies, the reaction probabilities and reaction cross section using SM-PES and AY-PES are very similar but different from PS-PES. The reaction cross sections investigated with quasi-classical trajectoriesare higher than those calculated with quantum wavepackets.

For the collision H- and D- with HD, the main reaction path ways are different with the different collision energies.

cover cover cover cover cover cover cover cover cover
Table of contents (PDF)

Keywords:

  • H3+
  • H3-
  • adiabatic
  • non-adiabatic
  • quasi-classical trajectory
  • quantum wavepackets
  • potential energy surface

Buying Options

34.50 €

34.00 €
44.50 €
48.50 €

(D) = Within Germany
(W) = Abroad

*You can purchase the eBook (PDF) alone or combined with the printed book (eBundle). In both cases we use the payment service of PayPal for charging you - nevertheless it is not necessary to have a PayPal-account. With purchasing the eBook or eBundle you accept our licence for eBooks.

For multi-user or campus licences (MyLibrary) please fill in the form or write an email to order@logos-verlag.de