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Results: 1 to 20 of 161

1.

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.

PMID:
15498970
[PubMed]
Free Article
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
[PubMed]
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
[PubMed - indexed for MEDLINE]
4.

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
[PubMed]
5.
6.

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
[PubMed]
7.

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
[PubMed]
8.

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
[PubMed]
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
[PubMed]
10.

Quasi-classical trajectory calculations in asymmetrically substituted polyatomic systems of the type A + CX3Y --> products: the H + CH3Cl hydrogen abstraction reaction channel.

Rangel C, Corchado JC, Espinosa-García J.

Phys Chem Chem Phys. 2008 Dec 7;10(45):6776-86. doi: 10.1039/b809999e. Epub 2008 Sep 30.

PMID:
19015781
[PubMed]
11.

Experimental and theoretical investigations of the inelastic and reactive scattering dynamics of O(3P) collisions with ethane.

Garton DJ, Minton TK, Hu W, Schatz GC.

J Phys Chem A. 2009 Apr 23;113(16):4722-38. doi: 10.1021/jp900412w.

PMID:
19334702
[PubMed]
12.

Theoretical study on the reaction mechanism of vinyl radical with formaldehyde.

Xie HB, Ding YH, Sun CC.

J Phys Chem A. 2005 Sep 22;109(37):8419-23.

PMID:
16834235
[PubMed]
13.

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.

PMID:
17047035
[PubMed - indexed for MEDLINE]
Free PMC Article
14.

Excited electronic state decomposition of furazan based energetic materials: 3,3'-diamino-4,4'-azoxyfurazan and its model systems, diaminofurazan and furazan.

Guo YQ, Bhattacharya A, Bernstein ER.

J Chem Phys. 2008 Jan 21;128(3):034303. doi: 10.1063/1.2822283.

PMID:
18205494
[PubMed]
15.

Photodissociation dynamics of formaldehyde initiated at the T1/S0 minimum energy crossing configurations.

Shepler BC, Epifanovsky E, Zhang P, Bowman JM, Krylov AI, Morokuma K.

J Phys Chem A. 2008 Dec 25;112(51):13267-70. doi: 10.1021/jp808410p.

PMID:
19053567
[PubMed]
16.

Analysis of quantum yields for the photolysis of formaldehyde at lambda > 310 nm.

Troe J.

J Phys Chem A. 2007 May 17;111(19):3868-74. Epub 2007 Feb 1.

PMID:
17266292
[PubMed]
17.

Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation.

Heazlewood BR, Jordan MJ, Kable SH, Selby TM, Osborn DL, Shepler BC, Braams BJ, Bowman JM.

Proc Natl Acad Sci U S A. 2008 Sep 2;105(35):12719-24. doi: 10.1073/pnas.0802769105. Epub 2008 Aug 7.

PMID:
18687891
[PubMed]
Free PMC Article
18.

Role of the C-H stretch mode excitation in the dynamics of the Cl + CHD3 reaction: a quasi-classical trajectory calculation.

Espinosa-García J.

J Phys Chem A. 2007 Oct 4;111(39):9654-61. Epub 2007 Sep 8.

PMID:
17824676
[PubMed]
19.

Theoretical study of the reaction of H atoms with vibrationally highly excited HF molecules.

Bene E, Lendvay G.

J Phys Chem A. 2006 Mar 9;110(9):3231-7.

PMID:
16509647
[PubMed]
20.

Quantum manifestation of roaming in H + MgH → Mg + H2: the birth of roaming resonances.

Li A, Li J, Guo H.

J Phys Chem A. 2013 Jun 20;117(24):5052-60. doi: 10.1021/jp4049988. Epub 2013 Jun 5.

PMID:
23713798
[PubMed - in process]

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