G Barney Ellison
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Explore the profile of G Barney Ellison including associated specialties, affiliations and a list of published articles.
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49
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522
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Recent Articles
1.
Changala P, Franke P, Stanton J, Ellison G, McCarthy M
J Am Chem Soc
. 2024 Jan;
146(2):1512-1521.
PMID: 38170910
Delocalization of the unpaired electron in π-conjugated radicals has profound implications for their chemistry, but direct and quantitative characterization of this electronic structure in isolated molecules remains challenging. We apply...
2.
Nguyen T, Bross D, Ruscic B, Ellison G, Stanton J
Faraday Discuss
. 2022 Jul;
238(0):405-430.
PMID: 35786720
High-level coupled cluster theory, in conjunction with Active Thermochemical Tables (ATcT) and ,-resolved master equation calculations, was used in a study of the title reactions, which play an important role...
3.
Carpenter B, Ellison G, Nimlos M, Scheer A
J Phys Chem A
. 2022 Feb;
126(8):1429-1447.
PMID: 35191307
The rearrangement of fulvene to benzene is believed to play an important role in the formation of soot during hydrocarbon combustion. Previous work has identified two possible mechanisms for the...
4.
Bouwman J, Hrodmarsson H, Ellison G, Bodi A, Hemberger P
J Phys Chem A
. 2021 Feb;
125(8):1738-1746.
PMID: 33616395
Phthalide pyrolysis has been assumed to be a clean fulvenallene source. We show that this is only true at low temperatures, and the CH isomers 1-, 2-, and 5-ethynylcyclopentadiene are...
5.
Hemberger P, Pan Z, Bodi A, van Bokhoven J, Ormond T, Ellison G, et al.
Chemphyschem
. 2020 Jul;
21(19):2217-2222.
PMID: 32628323
Unveiling reaction mechanisms by isomer-selective detection of reactive intermediates requires advanced spectroscopic knowledge. We study the photoionization of fulvenone (c-C H =C=O), a reactive ketene species relevant in catalytic pyrolysis...
6.
Ormond T, Baraban J, Porterfield J, Scheer A, Hemberger P, Troy T, et al.
J Phys Chem A
. 2018 Jun;
122(28):5911-5924.
PMID: 29893563
The nascent steps in the pyrolysis of the lignin components salicylaldehyde ( o-HOCHCHO) and catechol ( o-HOCHOH) were studied in a set of heated microreactors. The microreactors are small (roughly...
7.
Baraban J, Martin-Drumel M, Changala P, Eibenberger S, Nava M, Patterson D, et al.
Angew Chem Int Ed Engl
. 2017 Dec;
57(7):1821-1825.
PMID: 29239124
The planarity of the second stable conformer of 1,3-butadiene, the archetypal diene for the Diels-Alder reaction in which a planar conjugated diene and a dienophile combine to form a ring,...
8.
Changala P, Nguyen T, Baraban J, Ellison G, Stanton J, Bross D, et al.
J Phys Chem A
. 2017 Sep;
121(46):8799-8806.
PMID: 28877582
The adiabatic ionization energy of hydrogen peroxide (HOOH) is investigated, both by means of theoretical calculations and theoretically assisted reanalysis of previous experimental data. Values obtained by three different approaches:...
9.
Couch D, Buckingham G, Baraban J, Porterfield J, Wooldridge L, Ellison G, et al.
J Phys Chem A
. 2017 Jun;
121(28):5280-5289.
PMID: 28661692
We report the combination of tabletop vacuum ultraviolet photoionization with photoion-photoelectron coincidence spectroscopy for sensitive, isomer-specific detection of nascent products from a pyrolysis microreactor. Results on several molecules demonstrate two...
10.
Porterfield J, Bross D, Ruscic B, Thorpe J, Nguyen T, Baraban J, et al.
J Phys Chem A
. 2017 May;
121(24):4658-4677.
PMID: 28517940
Two methyl esters were examined as models for the pyrolysis of biofuels. Dilute samples (0.06-0.13%) of methyl acetate (CHCOOCH) and methyl butanoate (CHCHCHCOOCH) were entrained in (He, Ar) carrier gas...