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338 related items for PubMed ID: 20200737

  • 1. An ab initio/RRKM study of the reaction mechanism and product branching ratios of the reactions of ethynyl radical with allene and methylacetylene.
    Jamal A, Mebel AM.
    Phys Chem Chem Phys; 2010 Mar 20; 12(11):2606-18. PubMed ID: 20200737
    [Abstract] [Full Text] [Related]

  • 2. 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.
    J Phys Chem A; 2009 Oct 22; 113(42):11112-28. PubMed ID: 19610595
    [Abstract] [Full Text] [Related]

  • 3. Reactions of C2H with 1- and 2-butynes: an ab initio/RRKM study of the reaction mechanism and product branching ratios.
    Jamal A, Mebel AM.
    J Phys Chem A; 2011 Mar 24; 115(11):2196-207. PubMed ID: 21355622
    [Abstract] [Full Text] [Related]

  • 4. Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(2Sigma+) + C4H2(1Sigma(g)+) and C4H(2Sigma+) + C2H2(1Sigma(g)+) reactions.
    Landera A, Krishtal SP, Kislov VV, Mebel AM, Kaiser RI.
    J Chem Phys; 2008 Jun 07; 128(21):214301. PubMed ID: 18537416
    [Abstract] [Full Text] [Related]

  • 5. 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.
    J Phys Chem A; 2006 Feb 23; 110(7):2421-33. PubMed ID: 16480301
    [Abstract] [Full Text] [Related]

  • 6. Direct detection of polyynes formation from the reaction of ethynyl radical (C2H) with propyne (CH3-C[triple bond]CH) and allene (CH2=C=CH2).
    Goulay F, Osborn DL, Taatjes CA, Zou P, Meloni G, Leone SR.
    Phys Chem Chem Phys; 2007 Aug 21; 9(31):4291-300. PubMed ID: 17687477
    [Abstract] [Full Text] [Related]

  • 7. 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.
    J Phys Chem A; 2007 Jul 26; 111(29):6704-12. PubMed ID: 17391012
    [Abstract] [Full Text] [Related]

  • 8. The association reaction between C2H and 1-butyne: a computational chemical kinetics study.
    Mandal D, Mondal B, Das AK.
    Phys Chem Chem Phys; 2011 Mar 14; 13(10):4583-95. PubMed ID: 21279199
    [Abstract] [Full Text] [Related]

  • 9. An ab initio/RRKM study of product branching ratios in the photodissociation of buta-1,2- and -1,3-dienes and but-2-yne at 193 nm.
    Lee HY, Kislov VV, Lin SH, Mebel AM, Neumark DM.
    Chemistry; 2003 Feb 03; 9(3):726-40. PubMed ID: 12569465
    [Abstract] [Full Text] [Related]

  • 10. Cyclic versus linear isomers produced by reaction of the methylidyne radical (CH) with small unsaturated hydrocarbons.
    Goulay F, Trevitt AJ, Meloni G, Selby TM, Osborn DL, Taatjes CA, Vereecken L, Leone SR.
    J Am Chem Soc; 2009 Jan 28; 131(3):993-1005. PubMed ID: 19123915
    [Abstract] [Full Text] [Related]

  • 11. 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.
    J Phys Chem A; 2009 Sep 10; 113(36):9825-33. PubMed ID: 19681629
    [Abstract] [Full Text] [Related]

  • 12. Theoretical investigation of the mechanism and product branching ratios of the reactions of cyano radical with 1- and 2-butyne and 1,2-butadiene.
    Jamal A, Mebel AM.
    J Phys Chem A; 2013 Jan 31; 117(4):741-55. PubMed ID: 23305519
    [Abstract] [Full Text] [Related]

  • 13. Reaction of phenyl radical with propylene as a possible source of indene and other polycyclic aromatic hydrocarbons: an ab initio/RRKM-ME study.
    Kislov VV, Mebel AM, Aguilera-Iparraguirre J, Green WH.
    J Phys Chem A; 2012 Apr 26; 116(16):4176-91. PubMed ID: 22468969
    [Abstract] [Full Text] [Related]

  • 14. Ab initio/Rice-Ramsperger-Kassel-Marcus study of the singlet C4H4 potential energy surface and of the reactions of C2(X1 Sigmag+) with C4H4(X1A1g) and C(1D) with C3H4 (allene and methylacetylene).
    Mebel AM, Kisiov VV, Kaiser RI.
    J Chem Phys; 2006 Oct 07; 125(13):133113. PubMed ID: 17029439
    [Abstract] [Full Text] [Related]

  • 15. Ab initio and direct dynamics studies of the reaction of singlet methylene with acetylene and the lifetime of the cyclopropene complex.
    Yu HG, Muckerman JT.
    J Phys Chem A; 2005 Mar 10; 109(9):1890-6. PubMed ID: 16833521
    [Abstract] [Full Text] [Related]

  • 16. Ab initio/RRKM-ME study on the mechanism and kinetics of the reaction of phenyl radical with 1,2-butadiene.
    Kislov VV, Mebel AM.
    J Phys Chem A; 2010 Jul 29; 114(29):7682-92. PubMed ID: 20593856
    [Abstract] [Full Text] [Related]

  • 17. Combined DFT, QCISD(T), and G2 mechanism investigation for the reactions of carbon monophosphide CP with unsaturated hydrocarbons allene CH2CCH2 and methylacetylene CH3CCH.
    Zhao YL, Kan W, Zhong H, Yu HT, Fu HG.
    J Comput Chem; 2007 May 29; 28(7):1221-33. PubMed ID: 17299769
    [Abstract] [Full Text] [Related]

  • 18. Theoretical study on the reaction of ground state cyano radical with propylene in Titan's atmosphere.
    Huang CH, Kaiser RI, Chang AH.
    J Phys Chem A; 2009 Nov 12; 113(45):12675-85. PubMed ID: 19772299
    [Abstract] [Full Text] [Related]

  • 19. Detection of pentatetraene by reaction of the ethynyl radical (C2H) with allene (CH2=C=CH2) at room temperature.
    Goulay F, Soorkia S, Meloni G, Osborn DL, Taatjes CA, Leone SR.
    Phys Chem Chem Phys; 2011 Dec 14; 13(46):20820-7. PubMed ID: 22002654
    [Abstract] [Full Text] [Related]

  • 20. Reaction Mechanism and Product Branching Ratios of the CH + C3H6 Reaction: A Theoretical Study.
    Ribeiro JM, Mebel AM.
    J Phys Chem A; 2016 Mar 24; 120(11):1800-12. PubMed ID: 26866464
    [Abstract] [Full Text] [Related]

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