Knight, A.W., Illani-Kashkouli, P., Harvey, J.A., Greathouse, J.A., Ho, T.A., Kabengi, N., Ilgen, A.G., & Ilgen, A.G. (2019). Interfacial Reactions Driven by Nano-scale Confinement [Conference Poster]. https://www.osti.gov/biblio/1639605
Publications
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Jump to search filtersBryan, C.R., Gordon, M., Weck, P.F., Greathouse, J.A., Kim, E., Payne, C., & Payne, C. (2019). Potential use of novel Zr-P-W wasteforms for radionuclide waste streams [Conference Poster]. International High-Level Radioactive Waste Management 2019, IHLRWM 2019. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85067108975&origin=inward
Kim, E., Gordon, M., Weck, P.F., Greathouse, J.A., Meserole, S.P., Rodriguez, M.A., Payne, C., Bryan, C.R., & Bryan, C.R. (2019). Combined computational and experimental study of zirconium tungstate [Conference Poster]. International High-Level Radioactive Waste Management 2019, IHLRWM 2019. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85067104330&origin=inward
Greathouse, J.A., Weck, P.F., Gordon, M., Kim, E., Bryan, C.R., & Bryan, C.R. (2019). Structural properties of crystalline and amorphous zirconium tungstate from classical molecular dynamics simulations [Conference Poster]. International High-Level Radioactive Waste Management 2019, IHLRWM 2019. https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85067129982&origin=inward
Harvey, J.A., Johnston, C.T., Criscenti, L., Greathouse, J.A., & Greathouse, J.A. (2019). Distinguishing between bulk and edge hydroxyl vibrational properties of 2 : 1 phyllosilicates via deuteration. Chemical Communications, 55(24), pp. 3453-3456. 10.1039/C9CC00164F
Bryan, C.R., Gordon, M., Weck, P.F., Greathouse, J.A., Kim, E., Payne, C., & Payne, C. (2018). POTENTIAL USE OF NOVEL Zr-P-W WASTEFORMS FOR RADIONUCLIDE WASTE STREAMS [Conference Poster]. https://www.osti.gov/biblio/1595882
Hanz, E.K., Gordon, M., Weck, P.F., Greathouse, J.A., P, M.S., Cannady, M.R., Payne, C., Bryan, C.R., & Bryan, C.R. (2018). Combined computational and experimental study of zirconium tungstate [Conference Poster]. https://www.osti.gov/biblio/1592275
Greathouse, J.A., Weck, P.F., Gordon, M., Kim, E., Bryan, C.R., & Bryan, C.R. (2018). STRUCTURAL PROPERTIES OF CRYSTALLINE AND AMORPHOUS ZIRCONIUM TUNGSTATE FROM CLASSICAL MOLECULAR DYNAMICS SIMULATIONS [Conference Poster]. https://www.osti.gov/biblio/1583008
Greathouse, J.A., Gallis, D.F.S., & Gallis, D.F.S. (2018). Defect and Linker Effects on the Binding of Organophosphorous Compounds in UiO-66 and Rare-Earth MOFs. Journal of Physical Chemistry C, 122(47), pp. 26889-26896. 10.1021/acs.jpcc.8b06198
Weck, P.F., Kim, E., Gordon, M., Greathouse, J.A., Dingreville, R., Bryan, C.R., & Bryan, C.R. (2018). First-Principles Structural, Mechanical, and Thermodynamic Calculations of the Negative Thermal Expansion Compound Zr2(WO4)(PO4)2. ACS Omega, 3(11), pp. 15780-15788. 10.1021/acsomega.8b02456
Agrawal, M., Gallis, D.F.S., Greathouse, J.A., Sholl, D.S., & Sholl, D.S. (2018). How Useful Are Common Simulants of Chemical Warfare Agents at Predicting Adsorption Behavior?. Journal of Physical Chemistry C, 122(45), pp. 26061-26069. 10.1021/acs.jpcc.8b08856
Agrawal, M., Gallis, D.F.S., Greathouse, J.A., Sholl, D.S., & Sholl, D.S. (2018). Using Computer Simulations to Select Simulants for Capture of Chemical Warfare Agents in Nanoporous Materials by Adsorption [Conference Poster]. https://www.osti.gov/biblio/1594327
Harvey, J.A., Johnston, C.T., Greathouse, J.A., & Greathouse, J.A. (2018). Infrared Spectroscopy and Ion Adsorption at Clay and Silica Surfaces [Presentation]. https://www.osti.gov/biblio/1593644
Gordon, M., Bryan, C.R., Weck, P.F., Greathouse, J.A., Payne, C., Kim, E., & Kim, E. (2018). Synthesis and processing of meta-stable negative thermal expansion materials Zr2WP2O12 and ZrW2O8 as a wasteform [Conference Poster]. https://www.osti.gov/biblio/1593069
Leung, K., Criscenti, L., Knight, A.W., Ilgen, A.G., Ho, T.A., Greathouse, J.A., & Greathouse, J.A. (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surfaces. Journal of Physical Chemistry Letters, 9(18), pp. 5379-5385. 10.1021/acs.jpclett.8b02173
Gordon, M., Bryan, C.R., Weck, P.F., Greathouse, J.A., Payne, C., & Payne, C. (2018). Seeded synthesis of meta-stable negative thermal expansion materials: ZrW2O8 and Zr2WP2O12 [Conference Poster]. https://www.osti.gov/biblio/1592244
Greathouse, J.A. (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Presentation]. https://www.osti.gov/biblio/1569324
Harvey, J.A., McEntee, M., Garibay, S., Durke, E., Decoste, J., Greathouse, J.A., Gallis, D.F.S., & Gallis, D.F.S. (2018). Binding of Organophosphorous Compounds in Metal-Organic Frameworks as Explored by Density Functional Theory and Infrared Spectroscopy [Conference Poster]. https://www.osti.gov/biblio/1582285
Weck, P.F., Gordon, M., Greathouse, J.A., Bryan, C.R., Meserole, S., Rodriguez, M.A., Payne, C., Kim, E., & Kim, E. (2018). Infrared and Raman spectroscopy of α-ZrW2O8: A comprehensive density functional perturbation theory and experimental study. Journal of Raman Spectroscopy, 49(8), pp. 1373-1384. 10.1002/jrs.5396
Harvey, J.A., Johnston, C., Greathouse, J.A., & Greathouse, J.A. (2018). Adventures in Vibrational Spectroscopy at Clay Edges: Can Experiments and Molecular Modeling Agree? [Conference Poster]. https://www.osti.gov/biblio/1806784
Ho, T.A., Criscenti, L., Greathouse, J.A., Wang, Y., & Wang, Y. (2018). Molecular dynamics simulation of interaction of aqueous solution with minerals nanoparticle and nanoparticle aggregate [Conference Poster]. https://www.osti.gov/biblio/1581713
Ilgen, A.G., Criscenti, L., Greathouse, J.A., Leung, K., Knight, A.W., Ho, T.A., Harvey, J.A., Tigges, A., Loera, L., & Loera, L. (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Conference Poster]. https://www.osti.gov/biblio/1581943
Harvey, J.A., Decoste, J., Greathouse, J.A., Gallis, D.F.S., & Gallis, D.F.S. (2018). Insights into the binding and degradation of organophosphates on MOFs from a complementary experimental-modeling study [Conference Poster]. https://www.osti.gov/biblio/1806783
Criscenti, L., Greathouse, J.A., Ilgen, A.G., Leung, K., Harvey, J.A., Ho, T.A., Knight, A.W., & Knight, A.W. (2018). Interfacial Chemistry Under Nanoconfinement [Conference Poster]. https://www.osti.gov/biblio/1582269
Agrawal, M., Harvey, J.A., Greathouse, J.A., Gallis, D.F.S., Sholl, D., & Sholl, D. (2018). Using Computer Simulations to Select Simulants for Capture of Chemical Warfare Agents in Nanoporous Materials by Adsorption [Presentation]. https://www.osti.gov/biblio/1581698
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