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Journal Abstract Search

392 related items for PubMed ID: 17999472

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  • 2. 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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  • 3. 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
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  • 4. RRKM and ab initio investigation of the NH (X) oxidation by dioxygen.
    Talipov MR, Khursan SL, Safiullin RL.
    J Phys Chem A; 2009 Jun 11; 113(23):6468-76. PubMed ID: 19441782
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  • 7. Exploring photoinduced decarboxylation mechanism of o-acetylphenylacetic acid from the combined CASSCF and DFT studies.
    Ding L, Fang WH.
    J Org Chem; 2010 Mar 05; 75(5):1630-6. PubMed ID: 20128620
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  • 8. Theoretical reinvestigation of the O(3P) + C6H6 reaction: quantum chemical and statistical rate calculations.
    Nguyen TL, Peeters J, Vereecken L.
    J Phys Chem A; 2007 May 17; 111(19):3836-49. PubMed ID: 17253662
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  • 11. Experimental and theoretical studies of the C2F4 + O reaction: nonadiabatic reaction mechanism.
    Nguyen TL, Dils B, Carl SA, Vereecken L, Peeters J.
    J Phys Chem A; 2005 Nov 03; 109(43):9786-94. PubMed ID: 16833292
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  • 13. Adiabatic and nonadiabatic reaction pathways of the O(3P) with propyne.
    Zhao S, Wu W, Zhao H, Wang H, Yang C, Liu K, Su H.
    J Phys Chem A; 2009 Jan 08; 113(1):23-34. PubMed ID: 19061331
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  • 15. Quantum chemical and statistical rate study of the reaction of O(3P) with allene: O-addition and H-abstraction channels.
    Nguyen TL, Peeters J, Vereecken L.
    J Phys Chem A; 2006 Nov 09; 110(44):12166-76. PubMed ID: 17078612
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  • 16. Reaction Dynamics of O((3)P) + Propyne: II. Primary Products, Branching Ratios, and Role of Intersystem Crossing from Ab Initio Coupled Triplet/Singlet Potential Energy Surfaces and Statistical Calculations.
    Gimondi I, Cavallotti C, Vanuzzo G, Balucani N, Casavecchia P.
    J Phys Chem A; 2016 Jul 14; 120(27):4619-33. PubMed ID: 27010914
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  • 20. Ab initio study on the oxidation of NCN by O (3P): prediction of the total rate constant and product branching ratios.
    Zhu RS, Lin MC.
    J Phys Chem A; 2007 Jul 26; 111(29):6766-71. PubMed ID: 17458943
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