People
Jennifer Wilcox
Publications
Peer-Reviewed (Refereed) Journal Articles
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S. Sonwane, J. Wilcox, and Y.H. Ma, "Solubility of Hydrogen in PdAg and PdAu Binary Alloys Using Density Functional Theory", J. Phys. Chem. B,2006, 110(48), 24549.
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I. Fishtik, D. Urban, and J. Wilcox, "The Effect of Stoichiometry on Ab Initio-based Thermochemistry Predictions", Chem. Phys. Lett., 2006, 417, 185-189.
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S. Sonwane, J. Wilcox, and Y.H. Ma, "Achieving Optimum Hydrogen Permeability in PdAg and PdAu Alloys", J. Chem. Phys., 2006, 125(18), 184714
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B. Padak, M. Brunetti, A. Lewis, and J. Wilcox, "Mercury Adsorption on Activated Carbon", invited submission to Environmental Progress, quarterly publication of AICHE, 2006, 25(4), 319.
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D. Urban and J. Wilcox, "A Theoretical Study of Properties and Reactions Involving Arsenic and Selenium Compounds Present in Coal Combustion Flue Gases", J. Phys. Chem. A, 2006, 110(17), 5847-5852
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D. Urban and J. Wilcox, "A Theoretical Study of the Kinetics of the Reactions Se + O2 ? SeO + O and As + HCl ? AsCl + H", J. Phys. Chem. A, 2006, 110(28), 8797-8801.
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J. Wilcox, "Incorporating Computational Chemistry into the Chemical Engineering Curriculum", Chem. Eng. Educ., 2006, 40(4), 1.
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J. Wilcox and P. Blowers, "Decomposition of Mercuric Chloride and Application to Combustion Flue Gases", Environ. Chem., 2004, 1-6.
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J. Wilcox and P. Blowers, "Correction and Improvement of Mercury Speciation Kinetics Estimates from Quantum Chemical Calculations", J. Mol. Struct. (Theochem) 674 2004, 275-278.
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J. Wilcox, D.C.J. Marsden and P. Blowers, "Evaluation of Basis Sets and Theoretical Methods for Estimating Rate Constants of Mercury Oxidation Reactions Involving Chlorine", Fuel Proc. Technol. 85 2004, 391-400.
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J. Wilcox, J. Robles, D.C.J. Marsden, and P. Blowers, "Theoretically predicted rate constants for mercury oxidation by hydrogen chloride in coal combustion flue gases", Environ. Sci. Technol. 37(18) 2003,4199-4204.
Publications Under Review
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A. Lewis, N. Kazantzis, I. Fishtik, and J. Wilcox, "Integrating Process Safety with Molecular Modeling-Based Risk Assessment of Chemicals within the REACH Regulatory Framework: Benefits and Future Challenges", J. Haz. Mater., in press, 2006.
Conference Publications/Proceedings, Reviewed
- P. Blowers and J. Wilcox, "Integration of Communication Skills into the Introductory Material and Energy Balances Course in Chemical Engineering", Proceedings of the 2001 American Society for Engineering Education Annual Conference & Exposition, 2001.