Sara E. Mason - Publications

Affiliations: 
2007 University of Pennsylvania, Philadelphia, PA, United States 

39 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
2019 Bjorklund JL, Pyrch MM, Basile MC, Mason SE, Forbes TZ. Actinyl-cation interactions: experimental and theoretical assessment of [Np(vi)OCl] and [U(vi)OCl] systems. Dalton Transactions (Cambridge, England : 2003). PMID 31139781 DOI: 10.1039/c9dt01753d  0.48
2019 Bennett JW, Raglione ME, Oburn SM, MacGillivray LR, Arnold MA, Mason SE. DFT Computed Dielectric Response and THz Spectra of Organic Co-Crystals and Their Constituent Components. Molecules (Basel, Switzerland). 24. PMID 30857228 DOI: 10.3390/molecules24050959  0.48
2018 Bennett JW, Jones DT, Hamers RJ, Mason SE. First-Principles and Thermodynamics Study of Compositionally Tuned Complex Metal Oxides: Cation Release from the (001) Surface of Mn-Rich Lithium Nickel Manganese Cobalt Oxide. Inorganic Chemistry. PMID 30351064 DOI: 10.1021/acs.inorgchem.8b01855  0.48
2017 Liang D, Hong J, Fang D, Bennett JW, Mason SE, Hamers RJ, Cui Q. Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations. Physical Chemistry Chemical Physics : Pccp. PMID 29226924 DOI: 10.1039/c7cp06709g  0.48
2017 Bennett JW, Bjorklund JL, Forbes TZ, Mason SE. Systematic Study of Aluminum Nanoclusters and Anion Adsorbates. Inorganic Chemistry. PMID 29048881 DOI: 10.1021/acs.inorgchem.7b01803  0.48
2016 Corum KW, Mason SE. Using density functional theory to study shape-reactivity relationships in Keggin Al-nanoclusters. Water Research. 102: 413-420. PMID 27393966 DOI: 10.1016/j.watres.2016.06.043  1
2016 Cui Q, Hernandez R, Mason SE, Frauenheim T, Pedersen JA, Geiger FM. Sustainable Nanotechnology: Opportunities and Challenges for Theoretical/Computational Studies. The Journal of Physical Chemistry. B. PMID 27388532 DOI: 10.1021/acs.jpcb.6b03976  1
2015 Corum KW, Fairley M, Unruh DK, Payne MK, Forbes TZ, Mason SE. Characterization of Phosphate and Arsenate Adsorption onto Keggin-Type Al30 Cations by Experimental and Theoretical Methods. Inorganic Chemistry. 54: 8367-74. PMID 26252808 DOI: 10.1021/acs.inorgchem.5b01039  1
2015 Fairley M, Corum KW, Johns A, Unruh DK, Basile M, de Groot J, Mason SE, Forbes TZ. Isolation and characterization of the [Ga2Al18O8(OH)36(H2O)12](8+) cluster: cationic variations on the Wells-Dawson topology. Chemical Communications (Cambridge, England). 51: 12467-9. PMID 26146343 DOI: 10.1039/c5cc03069b  0.48
2015 Mason SE, Wu H, Yeatts JE, Baynes RE. Tissue concentrations of sulfamethazine and tetracycline hydrochloride of swine (Sus scrofa domestica) as it relates to withdrawal methods for international export. Regulatory Toxicology and Pharmacology : Rtp. 71: 590-6. PMID 25707857 DOI: 10.1016/j.yrtph.2015.02.013  0.48
2015 Corum KW, Mason SE. Establishing trends in ion adsorption on the aqueous aluminium hydroxide nanoparticle Al30 Molecular Simulation. 41: 146-155. DOI: 10.1080/08927022.2014.895001  1
2015 Fairley M, Corum KW, Johns A, Unruh DK, Basile M, De Groot J, Mason SE, Forbes TZ. Isolation and characterization of the [Ga2Al18O8(OH)36(H2O)12]8+ cluster: Cationic variations on the Wells-Dawson topology Chemical Communications. 51: 12467-12469. DOI: 10.1039/c5cc03069b  1
2015 Ramadugu SK, Mason SE. DFT Study of Antimony(V) Oxyanion Adsorption on α-Al2O3(1102) Journal of Physical Chemistry C. 119: 18149-18159. DOI: 10.1021/acs.jpcc.5b02061  1
2015 Mason SE, Corum KW, Ramadugu SK. Fundamental insights about environmental interface reactivity from DFT calculations of geochemical model systems Surface Science. 631: 48-56. DOI: 10.1016/j.susc.2014.07.033  1
2014 Huang X, Mason SE. DFT-GGA errors in NO chemisorption energies on (111) transition metal surfaces Surface Science. 621: 23-30. DOI: 10.1016/j.susc.2013.09.024  1
2013 Abeysinghe S, Corum KW, Neff DL, Mason SE, Forbes TZ. Contaminant adsorption on nanoscale particles: structural and theoretical characterization of Cu2+ bonding on the surface of Keggin-type polyaluminum (Al30) molecular species. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 14124-34. PMID 24144137 DOI: 10.1021/la402736t  1
2012 Goffinet CJ, Mason SE. Comparative DFT study of inner-sphere As(III) complexes on hydrated α-Fe2O3(0001) surface models. Journal of Environmental Monitoring : Jem. 14: 1860-71. PMID 22718082 DOI: 10.1039/c2em30355h  1
2012 Mason SE, Trainor TP, Goffinet CJ. DFT study of Sb(III) and Sb(V) adsorption and heterogeneous oxidation on hydrated oxide surfaces Computational and Theoretical Chemistry. 987: 103-114. DOI: 10.1016/j.comptc.2011.11.031  1
2011 Mason SE, Trainor TP, Chaka AM. Hybridization-reactivity relationship in Pb(II) adsorption on α-Al2O3-water interfaces: A DFT Study Journal of Physical Chemistry C. 115: 4008-4021. DOI: 10.1021/jp108201f  1
2010 Mason SE, Iceman CR, Trainor TP, Chaka AM. Density functional theory study of clean, hydrated, and defective alumina (1 1̄ 02 ) surfaces Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/PhysRevB.81.125423  1
2010 Mason SE, Iceman CR, Trainor TP, Chaka AM. Molecular-level understanding of environmental interfaces using density functional theory modeling Physics Procedia. 4: 67-83. DOI: 10.1016/j.phpro.2010.08.010  1
2009 Mason SE, Sokol EA, Cooper VR, Rappe AM. Spontaneous formation of dipolar metal nanoclusters. The Journal of Physical Chemistry. A. 113: 4134-7. PMID 19290645 DOI: 10.1021/jp8105088  1
2009 Mason SE, Iceman CR, Tanwar KS, Trainor TP, Chaka AM. Pb(II) adsorption on isostructural hydrated alumina and hematite (0001) surfaces: A DFT Study Journal of Physical Chemistry C. 113: 2159-2170. DOI: 10.1021/jp807321e  1
2008 Xu BJ, Gonzalez AL, Kikuchi T, Yanagisawa K, Massion PP, Wu H, Mason SE, Olson SJ, Shyr Y, Carbone DP, Caprioli RM. MALDI-MS derived prognostic protein markers for resected non-small cell lung cancer. Proteomics. Clinical Applications. 2: 1508-17. PMID 21136798 DOI: 10.1002/prca.200800094  0.48
2008 Mason SE, Grinberg I, Rappe AM. Orbital-specific analysis of CO chemisorption on transition-metal surfaces Journal of Physical Chemistry C. 112: 1963-1966. DOI: 10.1021/jp075355k  1
2008 Mason SE, Chaka AM. Using first-principles DFT to study the reactivity of hydrated oxide surfaces Aiche Annual Meeting, Conference Proceedings 1
2007 Grinberg I, Suchomel MR, Dmowski W, Mason SE, Wu H, Davies PK, Rappe AM. Structure and polarization in the high Tc ferroelectric Bi(Zn,Ti)O3-PbTiO3 solid solutions. Physical Review Letters. 98: 107601. PMID 17358566 DOI: 10.1103/PhysRevLett.98.107601  1
2006 Mason SE, Grinberg I, Rappe AM. Adsorbate-adsorbate interactions and chemisorption at different coverages studied by accurate ab initio calculations: CO on transition metal surfaces. The Journal of Physical Chemistry. B. 110: 3816-22. PMID 16494441 DOI: 10.1021/jp0548669  1
2004 Mason SE, Grinberg I, Rappe AM. First-principles extrapolation method for accurate CO adsorption energies on metal surfaces Physical Review B - Condensed Matter and Materials Physics. 69: 161401-1-161401-4. DOI: 10.1103/PhysRevB.69.161401  1
2003 Yourdshahyan Y, Grinberg I, Sai N, Cooper VR, Mason SE, Rappe AM, Kauffman RP. Relating fundamental chemistry and smart materials with DFT calculations Proceedings - 2003 User Group Conference. 20-35. DOI: 10.1109/DODUGC.2003.1253370  1
1999 Zhang M, Mason SE. Effects of contamination on the mechanical properties of carbon fibre reinforced epoxy composite materials Journal of Composite Materials. 33: 1363-1374.  1
1998 Zhang M, Mason SE. Interlaminar shear strength of carbon fibre reinforced epoxy composite under the influence of environments Advanced Composites Letters. 7: 27-29.  1
1998 Zhang M, Mason SE. The effects of water and seawater on the mechanical properties of carbon fibre reinforced epoxy composite under pre-cure curing condition Advanced Composites Letters. 7: 117-119.  1
1997 Glennon D, Smith JR, Nevell RT, Begg D, Mason SE, Watson KL, Tsibouklis J. An atomic force microscopy study of the effect of tensile loading and elevated temperature on polyvinylidene fluoride from flexible oil pipelines Journal of Materials Science. 32: 6227-6234.  1
1994 Mason SE, Rawlings RD. Effect of iron additions on microstructure and mechanical properties of Ni-Cr-Mo-Si hardfacing alloy Materials Science and Technology. 10: 924-928.  1
1993 Beng GMH, Mason SE. Influences of contamination during lamination on the properties of composite materials Journal De Physique. 3: 1669-1672.  1
1993 Mason S, Minor RJ, Razzell AG. Ceramic matrix composites for aero-engines Materials World. 1: 16-18.  1
1992 Arterton B, Brightwell JW, Mason S, Ray B, Viney IVF. Impact of phase concentrations on structure and electroluminescence of ZnS: Cu Journal of Crystal Growth. 117: 1008-1011. DOI: 10.1016/0022-0248(92)90902-U  1
1989 Mason SE, Rawlings RD. Structure and hardness of Ni-Mo-Cr-Si wear and corrosion resistant alloys Materials Science and Technology. 5: 180-185.  1
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