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A quantum Monte Carlo study of the reactions of CH with acrolein.
Pakhira S, Lengeling BS, Olatunji-Ojo O, Caffarel M, Frenklach M, Lester WA Jr. Pakhira S, et al. Among authors: frenklach m. J Phys Chem A. 2015 May 7;119(18):4214-23. doi: 10.1021/acs.jpca.5b00919. Epub 2015 Apr 27. J Phys Chem A. 2015. PMID: 25826390
On the mechanism of soot nucleation.
Frenklach M, Mebel AM. Frenklach M, et al. Phys Chem Chem Phys. 2020 Mar 4;22(9):5314-5331. doi: 10.1039/d0cp00116c. Phys Chem Chem Phys. 2020. PMID: 32096528
On the mechanism of soot nucleation. II. E-bridge formation at the PAH bay.
Semenikhin AS , Savchenkova AS , Chechet IV , Matveev SG , Frenklach M , Mebel AM . Semenikhin AS , et al. Among authors: frenklach m. Phys Chem Chem Phys. 2020 Aug 14;22(30):17196-17204. doi: 10.1039/d0cp02554b. Epub 2020 Jul 24. Phys Chem Chem Phys. 2020. PMID: 32706010
41 results