Mebel AM - Search Results

1

Kinetics of the CH₃ + C₅H₅ Reaction: A Theoretical Study.

Krasnoukhov VS, Porfiriev DP, Zavershinskiy IP, Azyazov VN, Mebel AM. Krasnoukhov VS, et al. Among authors: mebel am. J Phys Chem A. 2017 Dec 7;121(48):9191-9200. doi: 10.1021/acs.jpca.7b09873. Epub 2017 Nov 21. J Phys Chem A. 2017. PMID: 29117681

2

Potential energy surface and product branching ratios for the reaction of dicarbon, C(2)(X(1)Sigma(g)(+)), with methylacetylene, CH(3)CCH(X(1)A(1)): an ab initio/RRKM study.

Mebel AM, Kislov VV, Kaiser RI. Mebel AM, et al. J Phys Chem A. 2006 Feb 23;110(7):2421-33. doi: 10.1021/jp054309m. J Phys Chem A. 2006. PMID: 16480301

3

The reaction of phenyl radical with molecular oxygen: a G2M study of the potential energy surface.

Tokmakov IV, Kim GS, Kislov VV, Mebel AM, Lin MC. Tokmakov IV, et al. Among authors: mebel am. J Phys Chem A. 2005 Jul 14;109(27):6114-27. doi: 10.1021/jp051712k. J Phys Chem A. 2005. PMID: 16833949

4

Ab initio G3-type/statistical theory study of the formation of indene in combustion flames. I. Pathways involving benzene and phenyl radical.

Kislov VV, Mebel AM. Kislov VV, et al. Among authors: mebel am. J Phys Chem A. 2007 May 17;111(19):3922-31. doi: 10.1021/jp067135x. Epub 2007 Jan 30. J Phys Chem A. 2007. PMID: 17260977

5

The reaction of tricarbon with acetylene: an ab initio/RRKM study of the potential energy surface and product branching ratios.

Mebel AM, Kim GS, Kislov VV, Kaiser RI. Mebel AM, et al. J Phys Chem A. 2007 Jul 26;111(29):6704-12. doi: 10.1021/jp0690300. Epub 2007 Mar 29. J Phys Chem A. 2007. PMID: 17391012

6

Hydroxyl radical mediated degradation of phenylarsonic acid.

Xu T, Kamat PV, Joshi S, Mebel AM, Cai Y, O'Shea KE. Xu T, et al. Among authors: mebel am. J Phys Chem A. 2007 Aug 16;111(32):7819-24. doi: 10.1021/jp072135y. Epub 2007 Jul 26. J Phys Chem A. 2007. PMID: 17655206

7

The formation of naphthalene, azulene, and fulvalene from cyclic C5 species in combustion: an ab initio/RRKM study of 9-H-fulvalenyl (C5H5-C5H4) radical rearrangements.

Kislov VV, Mebel AM. Kislov VV, et al. Among authors: mebel am. J Phys Chem A. 2007 Sep 27;111(38):9532-43. doi: 10.1021/jp0732099. Epub 2007 Aug 21. J Phys Chem A. 2007. PMID: 17711267

8

An ab initio G3-type/statistical theory study of the formation of indene in combustion flames. II. The pathways originating from reactions of cyclic C5 species-cyclopentadiene and cyclopentadienyl radicals.

Kislov VV, Mebel AM. Kislov VV, et al. Among authors: mebel am. J Phys Chem A. 2008 Jan 31;112(4):700-16. doi: 10.1021/jp077493f. Epub 2008 Jan 9. J Phys Chem A. 2008. PMID: 18181589

9

A theoretical study of the reaction mechanism and product branching ratios of C2H + C2H4 and related reactions on the C4H5 potential energy surface.

Krishtal SP, Mebel AM, Kaiser RI. Krishtal SP, et al. Among authors: mebel am. J Phys Chem A. 2009 Oct 22;113(42):11112-28. doi: 10.1021/jp904033a. J Phys Chem A. 2009. PMID: 19610595

10

Can the C(5)H(5) + C(5)H(5) --> C(10)H(10) --> C(10)H(9) + H/C(10)H(8) + H(2) reaction produce naphthalene? An Ab initio/RRKM study.

Mebel AM, Kislov VV. Mebel AM, et al. J Phys Chem A. 2009 Sep 10;113(36):9825-33. doi: 10.1021/jp905931j. J Phys Chem A. 2009. PMID: 19681629

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