Journal
CHEMICAL PHYSICS LETTERS
Volume 501, Issue 1-3, Pages 11-15Publisher
ELSEVIER
DOI: 10.1016/j.cplett.2010.10.043
Keywords
-
Funding
- Laboratorio de Visualizacion y Computo Paralelo at Universidad Autonoma Metropolitana-Iztapalapa
- Direccion General de Servicios de Computo Academico (DGSCA) at Universidad Nacional Autonoma de Mexico
- DGAPA-UNAM [PAPIIT-IN203808]
- Instituto de Ciencia y Tecnologia del D.F., Mexico
Ask authors/readers for more resources
this work we analyze the effect of a single water molecule on the glyoxal + OH reaction, using quantum chemistry and computational kinetics calculations in a pseudo-second order mechanism, taking into account average atmospheric water concentrations and temperatures. We show that, although the formation of a hydrogen bonded glyoxal-water complex decreases the energy of the transition state barrier, the concentration of this complex is much too small to be relevant, and consequently a reaction rate enhancement by a single-water-molecule catalysis does not occur under tropospheric conditions. (C) 2010 Elsevier B. V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available