| Literature DB >> 17829631 |
D E Manolopoulos, K Stark, H J Werner, D W Arnold, S E Bradforth, D M Neumark.
Abstract
The transition state region of the F + H(2) reaction has been studied by photoelectron spectroscopy of FH(2)(-). New para and normal FH(2)(-)photoelectron spectra have been measured in refined experiments and are compared here with exact three-dimensional quantum reactive scattering simulations that use an accurate new ab initio potential energy surface for F + H(2). The detailed agreement that is obtained between this fully ab initio theory and experiment is unprecedented for the F + H(2) reaction and suggests that the transition state region of the F + H(2) potential energy surface has finally been understood quantitatively.Year: 1993 PMID: 17829631 DOI: 10.1126/science.262.5141.1852
Source DB: PubMed Journal: Science ISSN: 0036-8075 Impact factor: 47.728