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Influence of Water on Anharmonicity, Stability, and Vibrational Energy Distribution of Hydrogen-Bonded Adducts in Atmospheric Reactions: Case Study of the OH + Isoprene Reaction Intermediate Using Ab Initio Molecular Dynamics.

Authors :
Dietrick, Scott M.
Pacheco, Alexander B.
Phatak, Prasad
Stevens, Philip S.
Iyengar, Srinivasan S.
Source :
Journal of Physical Chemistry A; Jan2012, Vol. 116 Issue 1, p399-414, 9p
Publication Year :
2012

Details

Language :
English
ISSN :
10895639
Volume :
116
Issue :
1
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry A
Publication Type :
Academic Journal
Accession number :
71929578
Full Text :
https://doi.org/10.1021/jp204511v