Mebel AM - Search Results

1

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: mebel am. 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

2

Oxidation of Graphene-Edge Six- and Five-Member Rings by Molecular Oxygen.

Singh RI, Mebel AM, Frenklach M. Singh RI, et al. Among authors: mebel am. J Phys Chem A. 2015 Jul 16;119(28):7528-47. doi: 10.1021/acs.jpca.5b00868. Epub 2015 May 1. J Phys Chem A. 2015. PMID: 25894330

3

Rate constants for H abstraction from benzo(a)pyrene and chrysene: a theoretical study.

Semenikhin AS, Savchenkova AS, Chechet IV, Matveev SG, Liu Z, Frenklach M, Mebel AM. Semenikhin AS, et al. Among authors: mebel am. Phys Chem Chem Phys. 2017 Sep 27;19(37):25401-25413. doi: 10.1039/c7cp05560a. Phys Chem Chem Phys. 2017. PMID: 28894870

4

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

5

Mechanism and rate constants of the CH₂ + CH₂ CO reactions in triplet and singlet states: A theoretical study.

Savchenkova AS, Semenikhin AS, Chechet IV, Matveev SG, Konnov AA, Mebel AM. Savchenkova AS, et al. Among authors: mebel am. J Comput Chem. 2019 Jan 15;40(2):387-399. doi: 10.1002/jcc.25613. Epub 2018 Oct 9. J Comput Chem. 2019. PMID: 30299558

6

Rate constants for collision-induced emission of O₂(a¹Δ_g) with He, Ne, Ar, Kr, N₂, CO₂ and SF₆ as collisional partners.

Pershin AA , Torbin AP , Zagidullin MV , Mebel AM , Mikheyev PA , Azyazov VN . Pershin AA , et al. Among authors: mebel am. Phys Chem Chem Phys. 2018 Dec 5;20(47):29677-29683. doi: 10.1039/c8cp06231e. Phys Chem Chem Phys. 2018. PMID: 30474096

7

The mechanism and rate constants for oxidation of indenyl radical C₉H₇ with molecular oxygen O₂: a theoretical study.

Ghildina AR , Porfiriev DP , Azyazov VN , Mebel AM . Ghildina AR , et al. Among authors: mebel am. Phys Chem Chem Phys. 2019 Apr 24;21(17):8915-8924. doi: 10.1039/c9cp01122f. Phys Chem Chem Phys. 2019. PMID: 30984935

8

Combined Experimental and Computational Study on the Reaction Dynamics of the 1-Propynyl (CH₃CC)-1,3-Butadiene (CH₂CHCHCH₂) System and the Formation of Toluene under Single Collision Conditions.

Thomas AM, He C, Zhao L, Galimova GR, Mebel AM, Kaiser RI. Thomas AM, et al. Among authors: mebel am. J Phys Chem A. 2019 May 16;123(19):4104-4118. doi: 10.1021/acs.jpca.9b00092. Epub 2019 May 7. J Phys Chem A. 2019. PMID: 31017790

9

Scission of the Five-Membered Ring in 1-H-Inden-1-one C₉H₆O and Indenyl C₉H₇ in the Reactions with H and O Atoms.

Ghildina AR, Porfiriev DP, Azyazov VN, Mebel AM. Ghildina AR, et al. Among authors: mebel am. J Phys Chem A. 2019 Jul 11;123(27):5741-5752. doi: 10.1021/acs.jpca.9b04578. Epub 2019 Jun 26. J Phys Chem A. 2019. PMID: 31192595

10

How to add a five-membered ring to polycyclic aromatic hydrocarbons (PAHs) - molecular mass growth of the 2-naphthyl radical (C₁₀H₇) to benzindenes (C₁₃H₁₀) as a case study.

Zhao L, Prendergast M, Kaiser RI, Xu B, Ablikim U, Lu W, Ahmed M, Oleinikov AD, Azyazov VN, Howlader AH, Wnuk SF, Mebel AM. Zhao L, et al. Among authors: mebel am. Phys Chem Chem Phys. 2019 Aug 14;21(30):16737-16750. doi: 10.1039/c9cp02930c. Epub 2019 Jul 19. Phys Chem Chem Phys. 2019. PMID: 31322639

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