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1362 related items for PubMed ID: 18537416

  • 1. 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
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  • 3. 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
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  • 5. 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
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  • 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
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  • 9. Prediction of product branching ratios in the C(3P)+C2H2-->l-C3H+H/c-C3H+H/C3+H2 reaction using ab initio coupled clusters calculations extrapolated to the complete basis set combined with Rice-Ramsperger-Kassel-Marcus and radiationless transition theories.
    Mebel AM, Kislov VV, Hayashi M.
    J Chem Phys; 2007 May 28; 126(20):204310. PubMed ID: 17552765
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  • 11. Theoretical study of isomerization and dissociation of acetylene dication in the ground and excited electronic states.
    Zyubina TS, Dyakov YA, Lin SH, Bandrauk AD, Mebel AM.
    J Chem Phys; 2005 Oct 01; 123(13):134320. PubMed ID: 16223301
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  • 12. Reaction of cyanoacetylene HCCCN(X 1Sigma+) with ground-state carbon atoms C(3P) in cold molecular clouds.
    Li HY, Cheng WC, Liu YL, Sun BJ, Huang CY, Chen KT, Tang MS, Kaiser RI, Chang AH.
    J Chem Phys; 2006 Jan 28; 124(4):044307. PubMed ID: 16460162
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  • 13. 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
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  • 14. 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
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  • 16. An ab initio Rice-Ramsperger-Kassel-Marcus/master equation investigation of SiH(4) decomposition kinetics using a kinetic Monte Carlo approach.
    Barbato A, Seghi C, Cavallotti C.
    J Chem Phys; 2009 Feb 21; 130(7):074108. PubMed ID: 19239285
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  • 17. An ab initio/Rice-Ramsperger-Kassel-Marcus study of the hydrogen-abstraction reactions of methyl ethers, H(3)COCH(3-x)(CH(3))(x), x = 0-2, by OH; mechanism and kinetics.
    Zhou CW, Simmie JM, Curran HJ.
    Phys Chem Chem Phys; 2010 Jul 14; 12(26):7221-33. PubMed ID: 20485775
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  • 18. Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne.
    Ingels JB, Turney JM, Richardson NA, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Sep 14; 125(10):104306. PubMed ID: 16999525
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  • 19. Reaction of phenyl radicals with acetylene: quantum chemical investigation of the mechanism and master equation analysis of the kinetics.
    Tokmakov IV, Lin MC.
    J Am Chem Soc; 2003 Sep 17; 125(37):11397-408. PubMed ID: 16220963
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