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Mechanism of Atmospheric Photooxidation of Aromatics: A Theoretical Study

โœ Scribed by Andino, Jean M.; Smith, James N.; Flagan, Richard C.; Goddard, William A.; Seinfeld, John H.


Book ID
121883789
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
646 KB
Volume
100
Category
Article
ISSN
0022-3654

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## Ab initio computations including correlation have been performed ลฝ . in a comparative study of complexes of tetramethylammonium TMA with benzene, pyrrole, pyridine, and imidazole, using polarized Gaussian basis sets ลฝ of different accuracies. With the best basis optimized on molecular . polariz