Segui
Ariana Beste
Ariana Beste
Joint Institute for Computational Sciences, University of Tennessee; Center for Nanophase Materials Sciences, Oak Ridge National
Email verificata su ornl.gov
Titolo
Citata da
Citata da
Anno
Computational study of bond dissociation enthalpies for lignin model compounds. Substituent effects in phenethyl phenyl ethers
A Beste, AC Buchanan III
The Journal of organic chemistry 74 (7), 2837-2841, 2009
1932009
Direct neutron spectroscopy observation of cerium hydride species on a cerium oxide catalyst
Z Wu, Y Cheng, F Tao, L Daemen, GS Foo, L Nguyen, X Zhang, A Beste, ...
Journal of the American Chemical Society 139 (28), 9721-9727, 2017
1522017
Computational Study of Bond Dissociation Enthalpies for Substituted β‐O‐4 Lignin Model Compounds
JM Younker, A Beste, AC Buchanan Iii
ChemPhysChem 12 (18), 3556-3565, 2011
1142011
Density functional theory study of the concerted pyrolysis mechanism for lignin models
T Elder, A Beste
Energy & fuels 28 (8), 5229-5235, 2014
942014
Computational study of bond dissociation enthalpies for lignin model compounds: β-5 arylcoumaran
JM Younker, A Beste, AC Buchanan Iii
Chemical Physics Letters 545, 100-106, 2012
872012
ReaxFF study of the oxidation of lignin model compounds for the most common linkages in softwood in view of carbon fiber production
A Beste
The Journal of Physical Chemistry A 118 (5), 803-814, 2014
812014
Substituent effects on the reaction rates of hydrogen abstraction in the pyrolysis of phenethyl phenyl ethers
A Beste, AC Buchanan III
Energy & fuels 24 (5), 2857-2867, 2010
802010
Computational prediction of α/β selectivities in the pyrolysis of oxygen-substituted phenethyl phenyl ethers
A Beste, AC Buchanan Iii, RJ Harrison
The Journal of Physical Chemistry A 112 (22), 4982-4988, 2008
792008
Pyrolysis pathways of sulfonated polyethylene, an alternative carbon fiber precursor
JM Younker, T Saito, MA Hunt, AK Naskar, A Beste
Journal of the American Chemical Society 135 (16), 6130-6141, 2013
752013
Adsorption and dissociation of methanol on the fully oxidized and partially reduced (1 1 1) cerium oxide surface: Dependence on the configuration of the cerium 4f electrons
A Beste, DR Mullins, SH Overbury, RJ Harrison
Surface science 602 (1), 162-175, 2008
742008
Kinetic analysis of the pyrolysis of phenethyl phenyl ether: Computational prediction of α/β-selectivities
A Beste, AC Buchanan, PF Britt, BC Hathorn, RJ Harrison
The Journal of Physical Chemistry A 111 (48), 12118-12126, 2007
712007
Kinetic analysis of the phenyl-shift reaction in β-O-4 lignin model compounds: a computational study
A Beste, AC Buchanan III
The Journal of Organic Chemistry 76 (7), 2195-2203, 2011
572011
Pathways for ethanol dehydrogenation and dehydration catalyzed by ceria (111) and (100) surfaces
A Beste, SH Overbury
The Journal of Physical Chemistry C 119 (5), 2447-2455, 2015
542015
Role of carbon–carbon phenyl migration in the pyrolysis mechanism of β-O-4 lignin model compounds: phenethyl phenyl ether and α-hydroxy phenethyl phenyl ether
A Beste, AC Buchanan III
The Journal of Physical Chemistry A 116 (50), 12242-12248, 2012
512012
Kinetic simulation of the thermal degradation of phenethyl phenyl ether, a model compound for the β-O-4 linkage in lignin
A Beste, AC Buchanan III
Chemical Physics Letters 550, 19-24, 2012
492012
Mercury methylation by HgcA: theory supports carbanion transfer to Hg (II)
J Zhou, D Riccardi, A Beste, JC Smith, JM Parks
Inorganic chemistry 53 (2), 772-777, 2014
432014
Origins and implications of the ordering of oxygen vacancies and localized electrons on partially reduced CeO 2 (111)
JE Sutton, A Beste, SH Overbury
Physical Review B 92 (14), 144105, 2015
422015
ReaxFF study of the oxidation of softwood lignin in view of carbon fiber production
A Beste
Energy & fuels 28 (11), 7007-7013, 2014
412014
Computational investigation of the pyrolysis product selectivity for α-hydroxy phenethyl phenyl ether and phenethyl phenyl ether: analysis of substituent effects and reactant …
A Beste, AC Buchanan III
The Journal of Physical Chemistry A 117 (15), 3235-3242, 2013
392013
The Lewis Basicity of Diaminocarbene–A Theoretical Study of Donor–Acceptor Complexes of C (NH2) 2, NH3 and CO with the Lewis Acids EF3, ECl3 (E= B, Al, Ga, In), TiF4 and TiCl4
A Beste, O Krämer, A Gerhard, G Frenking
European journal of inorganic chemistry 1999 (11), 2037-2045, 1999
391999
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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