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Items: 1 to 20 of 127

1.

Vibrational excitation and product branching ratios in dissociation of the isotopologs of H3O: experiment and theory.

Mann JE, Xie Z, Savee JD, Bowman JM, Continetti RE.

J Phys Chem A. 2013 Aug 15;117(32):7256-66. doi: 10.1021/jp4010949. Epub 2013 May 13.

PMID:
23668439
2.

Dissociation dynamics of isotopologs of CH₅ studied by charge exchange of CH₅+ with Cs and quasiclassical trajectory calculations.

Mann JE, Xie Z, Savee JD, Bowman JM, Continetti RE.

J Phys Chem A. 2010 Nov 4;114(43):11408-16. doi: 10.1021/jp105119v.

PMID:
20942469
3.

Production of vibrationally excited H(2)O from charge exchange of H(3)O(+) with cesium.

Mann JE, Xie Z, Savee JD, Bowman JM, Continetti RE.

J Chem Phys. 2009 Jan 28;130(4):041102. doi: 10.1063/1.3068334.

PMID:
19191369
4.

Effects of high angular momentum on the unimolecular dissociation of CD2CD2OH: theory and comparisons with experiment.

McKown BG, Ceriotti M, Womack CC, Kamarchik E, Butler LJ, Bowman JM.

J Phys Chem A. 2013 Oct 24;117(42):10951-63. doi: 10.1021/jp407913t. Epub 2013 Oct 14.

PMID:
24124756
5.

Primary photodissociation pathways of epichlorohydrin and analysis of the C-C bond fission channels from an O((3)P)+allyl radical intermediate.

Fitzpatrick BL, Alligood BW, Butler LJ, Lee SH, Lin JJ.

J Chem Phys. 2010 Sep 7;133(9):094306. doi: 10.1063/1.3475001.

PMID:
20831317
6.

Reaction of Np atom with H₂O in the gas phase: reaction mechanisms and ab initio molecular dynamics study.

Li P, Niu W, Gao T, Wang H.

J Mol Model. 2014 Oct;20(10):2466. doi: 10.1007/s00894-014-2466-3. Epub 2014 Oct 7.

PMID:
25287763
7.

Photodissociation dynamics of enolic 1,2-cyclohexanedione at 266, 248, and 193 nm: mechanism and nascent state product distribution of OH.

Kawade M, Saha A, Upadhyaya HP, Kumar A, Naik PD.

J Phys Chem A. 2013 Mar 28;117(12):2415-26. doi: 10.1021/jp311251m. Epub 2013 Mar 13.

PMID:
23444923
8.
10.

Probing the structure of CH5+ by dissociative charge exchange.

Mann JE, Xie Z, Savee JD, Braams BJ, Bowman JM, Continetti RE.

J Am Chem Soc. 2008 Mar 26;130(12):3730-1. doi: 10.1021/ja0782504. Epub 2008 Feb 28.

PMID:
18303891
11.

Quasiclassical trajectory studies of the O(3P) + CX4(vk = 0, 1) → OXv + CX3(n1n2n3n4) [X = H and D] reactions on an ab initio potential energy surface.

Czakó G, Liu R, Yang M, Bowman JM, Guo H.

J Phys Chem A. 2013 Aug 1;117(30):6409-20. doi: 10.1021/jp4038107. Epub 2013 Jul 18.

PMID:
23808940
12.

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
13.

Ab initio energies and product branching ratios for the O+C3H6 reaction.

DeBoer GD, Dodd JA.

J Phys Chem A. 2007 Dec 20;111(50):12977-84. Epub 2007 Nov 14.

PMID:
17999472
14.
15.

Contrasting the excited state reaction pathways of phenol and para-methylthiophenol in the gas and liquid phases.

Zhang Y, Oliver TA, Ashfold MN, Bradforth SE.

Faraday Discuss. 2012;157:141-63; discussion 243-84.

PMID:
23230767
16.

Near-UV photolysis of substituted phenols, I: 4-fluoro-, 4-chloro- and 4-bromophenol.

Devine AL, Nix MG, Cronin B, Ashfold MN.

Phys Chem Chem Phys. 2007 Jul 28;9(28):3749-62. Epub 2007 May 29.

PMID:
17622410
17.

Quasiclassical trajectory study of the collision-induced dissociation of CH3SH+ + Ar.

Martínez-Núñez E, Vázquez SA, Marques JM.

J Chem Phys. 2004 Aug 8;121(6):2571-7.

PMID:
15281855
18.
19.

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
20.

Competition between the H- and D-atom transfer channels in the H2O+ + HD reaction: reduced-dimensional quantum and quasi-classical studies.

Song H, Li A, Yang M, Guo H.

Phys Chem Chem Phys. 2017 Jul 5;19(26):17396-17403. doi: 10.1039/c7cp02889j.

PMID:
28650041

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