Unimolecular decomposition pathways of negatively charged nitriles by ab initio molecular dynamics
Author:
Affiliation:
1. Mulliken Center for Theoretical Chemistry
2. Institute of Physical and Theoretical Chemistry
3. University of Bonn
4. 53115 Bonn
5. Germany
Abstract
Ab initio MD simulations reveal mechanistic details of the fragmentation reactions of molecular anions after low-energy electron attachment.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP06180J
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