Resonant capture of low-energy electrons by gas-phase glycine: A quantum dynamics calculation Academic Article

abstract

• We present quantum calculations for the low-energy dynamics of electrons interacting with glycine molecules in the gas phase. The scattering equations are formulated within a symmetry-adapted, single-center expansion of both continuum and bound electrons, and the interaction forces are obtained from a combination of ab initio calculations and a nonempirical modeling of exchange plus correlation effects. Several open-channel (shape) resonances are obtained, and the features of the excess electron resonant wave functions are related to the experimental findings about the dissociative electron attachment (DEA) processes that follow the initial formation of those transient negative ions.

authors

• Lucchese, Robert

published proceedings

• JOURNAL OF PHYSICAL CHEMISTRY A

author list (cited authors)

• Gianturco, F. A., & Lucchese, R. R.

citation count

• 27

complete list of authors

• Gianturco, FA||Lucchese, RR

publication date

• August 2004

publisher

• American Chemical Society (ACS)  Publisher

published in

• The Journal of Physical Chemistry A: Isolated Molecules, Clusters, Radicals, and Ions; Environmental Chemistry, Geochemistry, and Astrochemistry; Theory  Journal

keywords

• 34 Chemical Sciences
• 3406 Physical Chemistry
• 51 Physical Sciences
• 5102 Atomic, Molecular And Optical Physics

Digital Object Identifier (DOI)

• 10.1021/jp049237y

start page

• 7056

end page

• 7062

volume

• 108

issue

• 34

URL

• http%3A%2F%2Fdx.doi.org%2F10.1021%2Fjp049237y