Frenklach M - Search Results

1

Transformation of an Embedded Five-Membered Ring in Polycyclic Aromatic Hydrocarbons via the Hydrogen-Abstraction-Acetylene-Addition Mechanism: A Theoretical Study.

Semenikhin AS, Savchenkova AS, Chechet IV, Matveev SG, Frenklach M, Mebel AM. Semenikhin AS, et al. Among authors: frenklach m. J Phys Chem A. 2021 Apr 29;125(16):3341-3354. doi: 10.1021/acs.jpca.1c00900. Epub 2021 Apr 20. J Phys Chem A. 2021. PMID: 33876944

2

Detailed surface and gas-phase chemical kinetics of diamond deposition.

Frenklach M, Wang H. Frenklach M, et al. Phys Rev B Condens Matter. 1991 Jan 15;43(2):1520-1545. doi: 10.1103/physrevb.43.1520. Phys Rev B Condens Matter. 1991. PMID: 9997403 No abstract available.

3

A new mechanism for the formation of meteoritic kerogen-like material.

Morgan WA Jr, Feigelson ED, Wang H, Frenklach M. Morgan WA Jr, et al. Among authors: frenklach m. Science. 1991 Apr 5;252(5002):109-12. doi: 10.1126/science.252.5002.109. Science. 1991. PMID: 17739082

4

Model discrimination using data collaboration.

Feeley R, Frenklach M, Onsum M, Russi T, Arkin A, Packard A. Feeley R, et al. Among authors: frenklach m. J Phys Chem A. 2006 Jun 1;110(21):6803-13. doi: 10.1021/jp056309s. J Phys Chem A. 2006. PMID: 16722696

5

Graphene layer growth chemistry: five- and six-member ring flip reaction.

Whitesides R, Domin D, Salomón-Ferrer R, Lester WA Jr, Frenklach M. Whitesides R, et al. Among authors: frenklach m. J Phys Chem A. 2008 Mar 13;112(10):2125-30. doi: 10.1021/jp075785a. Epub 2007 Dec 18. J Phys Chem A. 2008. PMID: 18085755

6

Detailed kinetic Monte Carlo simulations of graphene-edge growth.

Whitesides R, Frenklach M. Whitesides R, et al. Among authors: frenklach m. J Phys Chem A. 2010 Jan 21;114(2):689-703. doi: 10.1021/jp906541a. J Phys Chem A. 2010. PMID: 20000728

7

Thermal decomposition of pentacene oxyradicals.

You X, Zubarev DY, Lester WA Jr, Frenklach M. You X, et al. Among authors: frenklach m. J Phys Chem A. 2011 Dec 15;115(49):14184-90. doi: 10.1021/jp208974b. Epub 2011 Nov 21. J Phys Chem A. 2011. PMID: 22054037

8

Pathways to soot oxidation: reaction of OH with phenanthrene radicals.

Edwards DE, Zubarev DY, Lester WA Jr, Frenklach M. Edwards DE, et al. Among authors: frenklach m. J Phys Chem A. 2014 Sep 18;118(37):8606-13. doi: 10.1021/jp5033178. Epub 2014 May 2. J Phys Chem A. 2014. PMID: 24761798

9

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

10

When Rate Constants Are Not Enough.

Barker JR, Frenklach M, Golden DM. Barker JR, et al. Among authors: frenklach m. J Phys Chem A. 2015 Jul 16;119(28):7451-61. doi: 10.1021/acs.jpca.5b00640. Epub 2015 Apr 21. J Phys Chem A. 2015. PMID: 25867137

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