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Article: Studies from Pusan National University yield new information about physical chemistry.
- Article from:
- Chemicals & Chemistry
- Article date:
- November 13, 2009
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According to recent research from South Korea, "Ti+ is known to react with acetone (CH3COCH3) to produce TiO+ and CH2CHCH3 as products, but the detailed reaction mechanism and the most favorable reaction pathway have not yet been elucidated. Here, we investigate the doublet and quartet potential-energy surfaces associated with the gas-phase reaction between Ti+ and acetone for three plausible pathways, (i) direct metal-ion insertion into the C=O bond, (ii) direct H shift, and (iii) metal-mediated H migration, by using the density functional theory (DFT) and ab initio methods."
"The molecular structures of intermediates and transition states involved in these ...
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Article: Data from Pusan National University advance ...
Chemicals & Chemistry;
February 20, 2009 ;
606 words
... ... Excitation. Journal of Physical Chemistry a, 2008;112 ... contact S.K. Lee, Pusan National University, Dept ... for the Journal of Physical Chemistry a is: American Chemical ... Keywords: Physics, Pusan National University. This ...
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