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Items: 1 to 20 of 210

1.

Roaming atoms and radicals: a new mechanism in molecular dissociation.

Suits AG.

Acc Chem Res. 2008 Jul;41(7):873-81. doi: 10.1021/ar8000734. Epub 2008 Jun 27.

PMID:
18582091
2.

Energy dependence of the roaming atom pathway in formaldehyde decomposition.

Lahankar SA, Chambreau SD, Zhang X, Bowman JM, Suits AG.

J Chem Phys. 2007 Jan 28;126(4):044314.

PMID:
17286477
3.

The roaming atom pathway in formaldehyde decomposition.

Lahankar SA, Chambreau SD, Townsend D, Suits F, Farnum J, Zhang X, Bowman JM, Suits AG.

J Chem Phys. 2006 Jul 28;125(4):44303.

PMID:
16942138
4.

The roaming atom: straying from the reaction path in formaldehyde decomposition.

Townsend D, Lahankar SA, Lee SK, Chambreau SD, Suits AG, Zhang X, Rheinecker J, Harding LB, Bowman JM.

Science. 2004 Nov 12;306(5699):1158-61. Epub 2004 Oct 21.

5.

Statistical theory for the kinetics and dynamics of roaming reactions.

Klippenstein SJ, Georgievskii Y, Harding LB.

J Phys Chem A. 2011 Dec 22;115(50):14370-81. doi: 10.1021/jp208347j. Epub 2011 Nov 28.

PMID:
22029474
6.

Roaming radical kinetics in the decomposition of acetaldehyde.

Harding LB, Georgievskii Y, Klippenstein SJ.

J Phys Chem A. 2010 Jan 21;114(2):765-77. doi: 10.1021/jp906919w.

PMID:
20038152
7.

Quasiclassical trajectory study of formaldehyde unimolecular dissociation: H(2)CO-->H2 + CO, H + HCO.

Zhang X, Rheinecker JL, Bowman JM.

J Chem Phys. 2005 Mar 15;122(11):114313.

PMID:
15836221
8.
9.

Three reaction pathways in the H + HCO --> H2 + CO reaction.

Christoffel KM, Bowman JM.

J Phys Chem A. 2009 Apr 23;113(16):4138-44. doi: 10.1021/jp810517e.

PMID:
19235994
10.

Roaming dynamics in formaldehyde-d2 dissociation.

Goncharov V, Lahankar SA, Farnum JD, Bowman JM, Suits AG.

J Phys Chem A. 2009 Dec 31;113(52):15315-9. doi: 10.1021/jp906248j.

PMID:
19775138
11.

Roaming dynamics in acetone dissociation.

Goncharov V, Herath N, Suits AG.

J Phys Chem A. 2008 Oct 2;112(39):9423-8. doi: 10.1021/jp802534r. Epub 2008 Jun 28.

PMID:
18588266
12.

New insights on reaction dynamics from formaldehyde photodissociation.

Bowman JM, Zhang X.

Phys Chem Chem Phys. 2006 Jan 21;8(3):321-32. Epub 2005 Oct 31. Review.

PMID:
16482274
13.

"Roaming" dynamics in CH3CHO photodissociation revealed on a global potential energy surface.

Shepler BC, Braams BJ, Bowman JM.

J Phys Chem A. 2008 Oct 2;112(39):9344-51. doi: 10.1021/jp802331t. Epub 2008 Jul 3.

PMID:
18597443
14.

Phase space analysis of formaldehyde dissociation branching and comparison with quasiclassical trajectory calculations.

Farnum JD, Bowman JM.

J Phys Chem A. 2007 Oct 18;111(41):10376-80. Epub 2007 Jul 13.

PMID:
17629255
15.

Photodissociation dynamics of nitromethane and methyl nitrite by infrared multiphoton dissociation imaging with quasiclassical trajectory calculations: signatures of the roaming pathway.

Dey A, Fernando R, Abeysekera C, Homayoon Z, Bowman JM, Suits AG.

J Chem Phys. 2014 Feb 7;140(5):054305. doi: 10.1063/1.4862691.

PMID:
24511938
16.

Quantum chemical study of low temperature oxidation mechanism of dibenzofuran.

Altarawneh M, Dlugogorski BZ, Kennedy EM, Mackie JC.

J Phys Chem A. 2006 Dec 21;110(50):13560-7.

PMID:
17165883
17.

Shock tube explorations of roaming radical mechanisms: the decompositions of isobutane and neopentane.

Sivaramakrishnan R, Michael JV, Harding LB, Klippenstein SJ.

J Phys Chem A. 2012 Jun 21;116(24):5981-9. doi: 10.1021/jp210959j. Epub 2012 Mar 21.

PMID:
22394380
18.
19.
20.

Photodissociation of acetaldehyde as a second example of the roaming mechanism.

Houston PL, Kable SH.

Proc Natl Acad Sci U S A. 2006 Oct 31;103(44):16079-82. Epub 2006 Oct 17.

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