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Ariana Beste, Ph.D. - Publications

Affiliations: 
2004 University of Florida, Gainesville, Gainesville, FL, United States 
Area:
Physical Chemistry
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29 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Beste A, Taylor DE, Shih TM, Thomas TP. Mechanisms of acetylcholinesterase protection against sarin and soman by adenosine A receptor agonist N-cyclopentyladenosine. Computational Biology and Chemistry. 75: 74-81. PMID 29747078 DOI: 10.1016/J.Compbiolchem.2018.04.017  0.592
2018 Beste A, Taylor DE, Golter DA, Lai CW. Charge state switching of the divacancy defect in 4H -SiC Physical Review B. 98. DOI: 10.1103/Physrevb.98.214107  0.591
2017 Sutton JE, Danielson T, Beste A, Savara A. Below-Room-Temperature C-H Bond Breaking on an Inexpensive Metal Oxide: Methanol to Formaldehyde on CeO2(111). The Journal of Physical Chemistry Letters. 5810-5814. PMID 29136471 DOI: 10.1021/Acs.Jpclett.7B02683  0.329
2017 Wu Z, Cheng YQ, Tao FF, Daemen LL, Foo GS, Nguyen L, Zhang X, Beste A, Ramirez-Cuesta AJ. Direct neutron spectroscopy observation of cerium hydride species on a cerium oxide catalyst. Journal of the American Chemical Society. PMID 28654298 DOI: 10.1021/Jacs.7B05492  0.329
2017 Beste A, Overbury SH. Methyl Formate Formation during Methanol Conversion over the (111) Ceria Surface Journal of Physical Chemistry C. 121: 9920-9928. DOI: 10.1021/Acs.Jpcc.7B01431  0.31
2016 Beste A, Overbury SH. Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces. Physical Chemistry Chemical Physics : Pccp. 18: 9990-8. PMID 27005883 DOI: 10.1039/C6Cp00151C  0.344
2016 Sutton JE, Overbury SH, Beste A. Coadsorbed Species Explain the Mechanism of Methanol Temperature-Programmed Desorption on CeO2(111) Journal of Physical Chemistry C. 120: 7241-7247. DOI: 10.1021/Acs.Jpcc.6B02128  0.319
2016 Beste A, Overbury SH. Hydrogen and methoxy coadsorption in the computation of the catalytic conversion of methanol on the ceria (111) surface Surface Science. 648: 242-249. DOI: 10.1016/J.Susc.2015.12.002  0.327
2015 Beste A, Overbury S{H. Pathways for Ethanol Dehydrogenation and Dehydration Catalyzed by Ceria (111) and (100) Surfaces Journal of Physical Chemistry C. 119: 2447-2455. DOI: 10.1021/Jp509686F  0.32
2014 Elder T, Beste A. Density functional theory study of the concerted pyrolysis mechanism for lignin models Energy and Fuels. 28: 5229-5235. DOI: 10.1021/Ef5013648  0.356
2013 Younker JM, Saito T, Hunt MA, Naskar AK, Beste A. Pyrolysis pathways of sulfonated polyethylene, an alternative carbon fiber precursor. Journal of the American Chemical Society. 135: 6130-41. PMID 23560686 DOI: 10.1021/Ja3121845  0.322
2013 Beste A, Buchanan AC. Computational investigation of the pyrolysis product selectivity for α-hydroxy phenethyl phenyl ether and phenethyl phenyl ether: analysis of substituent effects and reactant conformer selection. The Journal of Physical Chemistry. A. 117: 3235-42. PMID 23514452 DOI: 10.1021/Jp4015004  0.317
2013 Beste A, Vázquez-Mayagoitia Á, Ortiz JV. Direct ΔMBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers. The Journal of Chemical Physics. 138: 074101. PMID 23444991 DOI: 10.1063/1.4790626  0.306
2012 Beste A, Buchanan AC. 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. The Journal of Physical Chemistry. A. 116: 12242-8. PMID 23194314 DOI: 10.1021/Jp3104694  0.307
2012 Beste A, Buchanan AC. Kinetic simulation of the thermal degradation of phenethyl phenyl ether, a model compound for the β-O-4 linkage in lignin Chemical Physics Letters. 550: 19-24. DOI: 10.1016/J.Cplett.2012.08.040  0.318
2011 Younker JM, Beste A, Buchanan AC. Computational study of bond dissociation enthalpies for substituted β-O-4 lignin model compounds. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 3556-65. PMID 22065478 DOI: 10.1002/Cphc.201100477  0.324
2011 Beste A, Buchanan AC. Kinetic analysis of the phenyl-shift reaction in β-O-4 lignin model compounds: a computational study. The Journal of Organic Chemistry. 76: 2195-203. PMID 21381723 DOI: 10.1021/Jo2000385  0.328
2011 Jackson P, Beste A, Attalla M. Insights into amine-based CO2 capture: an ab initio self-consistent reaction field investigation Structural Chemistry. 22: 537-549. DOI: 10.1007/S11224-010-9719-2  0.31
2010 Beste A, Buchanan AC. Substituent Effects on the Reaction Rates of Hydrogen Abstraction in the Pyrolysis of Phenethyl Phenyl Ethers Energy & Fuels. 24: 2857-2867. DOI: 10.1021/Ef1001953  0.354
2009 Beste A, Buchanan AC. Computational study of bond dissociation enthalpies for lignin model compounds. Substituent effects in phenethyl phenyl ethers. The Journal of Organic Chemistry. 74: 2837-41. PMID 19260664 DOI: 10.1021/Jo9001307  0.312
2008 Beste A, Buchanan AC, Britt PF, Hathorn BC, Harrison RJ. Ab initio study of hydrogen abstraction reactions on toluene and tetralin Journal of Molecular Structure: Theochem. 851: 232-241. DOI: 10.1016/J.Theochem.2007.11.015  0.363
2008 Beste A, Mullins DR, Overbury SH, Harrison RJ. 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 Surface Science. 602: 162-175. DOI: 10.1016/J.Susc.2007.10.024  0.305
2007 Beste A, Buchanan AC, Britt PF, Hathorn BC, Harrison RJ. Kinetic analysis of the pyrolysis of phenethyl phenyl ether: computational prediction of alpha/beta-selectivities. The Journal of Physical Chemistry. A. 111: 12118-26. PMID 17990858 DOI: 10.1021/Jp075861+  0.31
2006 Beste A, Harrison RJ, Yanai T. Direct computation of general chemical energy differences: Application to ionization potentials, excitation, and bond energies. The Journal of Chemical Physics. 125: 074101. PMID 16942316 DOI: 10.1063/1.2244559  0.312
2005 Beste A, Bartlett RJ. Correlated one-particle method: numerical results. The Journal of Chemical Physics. 123: 154103. PMID 16252938 DOI: 10.1063/1.2039082  0.451
2004 Beste A, Bartlett RJ. Independent particle theory with electron correlation. The Journal of Chemical Physics. 120: 8395-404. PMID 15267763 DOI: 10.1063/1.1691402  0.449
2002 Beste A, Bartlett RJ. The electronic structure of SiO3: a problematic example for coupled cluster methods Chemical Physics Letters. 366: 100-108. DOI: 10.1016/S0009-2614(02)01546-4  0.419
2002 Beste A, Runge K, Bartlett R. Ensuring N-representability: Coleman's algorithm Chemical Physics Letters. 355: 263-269. DOI: 10.1016/S0009-2614(02)00239-7  0.401
1999 Beste A, Krämer O, Gerhard A, Frenking G. 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 European Journal of Inorganic Chemistry. 1999: 2037-2045. DOI: 10.1002/(Sici)1099-0682(199911)1999:11<2037::Aid-Ejic2037>3.0.Co;2-T  0.302
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