Computational study of hydrogen abstraction reactions form Nitric acid based on NO3 radical and limonene
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Computational study of hydrogen abstraction reactions form Nitric acid based on NO3 radical and limonene
The topic is computational study of hydrogen abstraction reactions from Nitric acid based on NO3 radical and limonene. I would like you guys write the introduction and theoretical method use to achieve. For the introduction; grab up how do we care nitric acid, source of limonene, and NO3 radical in the atmosphere. Include the thesis that I am working on reactions from nitric acid based on the six-abstraction reactions pathway with NO3 + limonen, six reactions based on six hydrogen located in limonene molecule, and then determine the most favorable reaction to form nitric acid. Theoretical method use to achieve; grab up Density Functional Theory, and GAUSSIAN, geometry optimization at B3LYP/6-31+G*. I also attack the calculation I has worked on.