Coulomb explosion imaging: the CH3+ and H3O+ molecules

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DOIResolve DOI: http://doi.org/10.1016/j.molstruc.2004.11.092
AuthorSearch for: ; Search for: ; Search for:
TypeArticle
Journal titleJournal of Molecular Structure
Volume742
Pages4348; # of pages: 6
AbstractWe calculate the thermally averaged probability distribution for the out-of-plane inversion motion of the CH3+ and H3O+ molecules. Such distributions can be obtained experimentally by using Coulomb explosion imaging (CEI) techniques, and our results will be useful in the interpretation of such images. We calculate these probability distributions from the molecular wavefunctions that we obtain by solving variationally the nine-dimensional rotation vibration Schr?dinger equation using the recently developed `XY3' Hamiltonian and computer program.
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AffiliationNational Research Council Canada; NRC Steacie Institute for Molecular Sciences
Peer reviewedNo
NPARC number12337983
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Record identifier7289ddb2-660a-4af2-b003-3fe0bbb8e36d
Record created2009-09-10
Record modified2016-05-09
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