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Published in 2018 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2018.02.014
Abstract: Abstract Guaiacol is the main representative of methoxyphenols generated from the pyrolysis of ligin. The gas-phase reaction mechanism of guaiacol with NO3 radical was researched by using density functional theory at M06-2X/6-31+g(d,p)//M06-2X/6-311+g(3df,2p) level in this…
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Keywords:
mechanism kinetic;
guaiacol;
mechanism;
nitrate radical ... See more keywords