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Leverant, C.J., Richards, D., Sharma, A., Percival, S.J., Vanegas, J.M., & Rempe, S. (2024). Bulk and Nanoconfined Carbon Dioxide in Interfacial Aqueous/Ionic Liquid Systems [Presentation]. 10.2172/2585802

Leverant, C.J., Richards, D., Spoerke, E.D., Alcala, R., Percival, S.J., Vanegas, J.M., & Rempe, S. (2024). Nanoconfinement of Carbon Dioxide within Interfacial Aqueous/Ionic Liquid Systems. Langmuir, 40(20), pp. 10615-10622. 10.1021/acs.langmuir.4c00542

Richards, D., Percival, S.J., Leverant, C.J., Wygant, M.L., Fritzsching, K., Spoerke, E.D., Rempe, S., & Vanegas, J.M. (2024). Effect of the EMIM Cation on the CO2 Reduction Reaction on Gold [Conference Poster]. 10.2172/2585134

Bachand, G.D., Rempe, S., Manginell, M., Coker, E.N., Chiang, R., Sharma, A., & Nardi, I. (2024). Engineered living materials for capture, conversion, and recycling technologies. 10.2172/2325002

Zwier, T.S., Welsh, B.A., Urbina Bucheli, A.S., Ho, T.A., Rempe, S., & Slipchenko, L.V. (2024). Capturing CO2 in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO2)n, n = 1,2. Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, 128(6). 10.1021/acs.jpca.3c07930

Rempe, S., Spoerke, E.D., Wait, E., Liu, C., Gourary, J., & Ren, P. (2024). QM Investigation of Protein - Rare Earth Ion Binding [Conference Poster]. 10.2172/2540475

Sharma, A., Leverant, C.J., Richards, D., Beamis, C.P., Spoerke, E.D., Percival, S.J., Rempe, S., & Vanegas, J.M. (2023). Transport and Energetics of Carbon Dioxide in Ionic Liquids at Aqueous Interfaces. Journal of Physical Chemistry B, 127(49), pp. 10573-10582. 10.1021/acs.jpcb.3c05946

Whiting, J.J., Bennett, H.L., Sammon, J.P., Moorman, M.W., Rempe, S., Poudel, B., & Vanegas, J. (2023). Energetics of high temperature degradation of fentanyl into primary and secondary products. Physical Chemistry Chemical Physics, 25(45). 10.1039/D3CP03068G

Foley, C.D., Allen, C.D., Au, K., Lee, C., Rempe, S., Ren, P., Sibert, E.L., & Zwier, T.S. (2023). Molecular Cage Reports on Its Contents: Spectroscopic Signatures of Cryo-Cooled K+- and Ba2+-Benzocryptand Complexes. Journal of Physical Chemistry A, 127(30), pp. 6227-6240. 10.1021/acs.jpca.3c03457

Dasgupta, N., Ho, T.A., Rempe, S., & Wang, Y. (2023). Understanding the effect of surface hydrophobicity and nanoconfinement on CO2 conversion to H2CO3 [Conference Poster]. 10.2172/2431623

Dasgupta, N., Ho, T.A., Rempe, S., & Wang, Y. (2023). Understanding the effect of surface hydrophobicity and nanoconfinement on the conversion of carbon dioxide to carbonic acid [Conference Presentation]. 10.2172/2431634

Ho, T.A., Wang, Y., Jove-Colon, C.F., Dasgupta, N., & Rempe, S. (2023). Geological gas storage: H2 and CO2 intercalation into smectite interlayers [Conference Presentation]. 10.2172/2431201

Ho, T.A., Wang, Y., Coker, E.N., Jove-Colon, C.F., Dasgupta, N., Rempe, S., Zwier, T.S., Xu, G., & Mills, M.M. (2023). Nanoconfinement effects on gas intercalation and conversion in clay nanopores [Conference Presentation]. 10.2172/2431688

Spoerke, E.D., Hilmas, K., Castillo, N., Rempe, S., Bachand, G.D., Percival, S.J., Peretti, A.S., Small, L.J., Ren, P., Gourary, J., & Wait, E. (2023). Bio-Inspired Polymeric Ion Capture for Critical Materials Harvesting [Conference Presentation]. 10.2172/2431547

Ho, T.A., Wang, Y., Rempe, S., Dasgupta, N., Xu, G., Zwier, T.S., & Mills, M.M. (2023). Control of the Structural Charge Distribution and Hydration State upon Intercalation of CO2 into Expansive Clay Interlayers. Journal of Physical Chemistry Letters, 14(11), pp. 2901-2909. 10.1021/acs.jpclett.3c00291

Rempe, S., Spoerke, E.D., Wait, E.E., Gourary, J., Ren, P., & Liu, C. (2023). Development of $\mathrm{AMOEBA}$ Polarizable Force Field for Rare-Earth La3+ Interaction with Bioinspired Ligands. Journal of Physical Chemistry. B, 127(6). 10.1021/acs.jpcb.2c07237

Spoerke, E.D., Rempe, S., Bachand, G.D., Percival, S.J., Peretti, A.S., Small, L.J., Hilmas, K., Ilgen, A.G., Xu, G., Ren, P., & Gourary, J. (2022). Bio-Inspired Harvesting of Rare Earth Metals [Conference Presentation]. 10.2172/2003593

Allen, C.D., Rempe, S., Zwier, T.S., & Ren, P. (2022). Trapping Ca+ inside a molecular cavity: computational study of the potential energy surfaces for Ca+-[n]cycloparaphenylene, n = 5-12. Physical Chemistry Chemical Physics, 24(17), pp. 10085-10094. 10.1039/d2cp00717g

Kinnan, M., Burton, P.D., Greathouse, J.A., Priest, C., Leverant, C.J., Fisher, T., Rempe, S., Alam, T.M., McGarvey, D.J., & Creasy, B. (2021). CB10412: Bulk CWA Destruction. 10.2172/1835015

Rempe, S., Leverant, C.J., Kinnan, M., Greathouse, J.A., & Priest, C.W. (2021). Quantum calculations of vx ammonolysis and hydrolysis pathways via hydrated lithium nitride. International Journal of Molecular Sciences, 22(16). 10.3390/ijms22168653

Percival, S.J., Russo, S., Priest, C., Hill, R.C., Ohlhausen, J.A., Small, L.J., Rempe, S., & Spoerke, E.D. (2021). Bio-inspired incorporation of phenylalanine enhances ionic selectivity in layer-by-layer deposited polyelectrolyte films. Soft Matter, 17(26), pp. 6315-6325. https://doi.org/10.1039/d1sm00134e

Rempe, S., Vangordon, M.R., Prignano, L.A., Dempski, R.E., & Rick, S.W. (2021). Channelrhodopsin C1C2: Photocycle kinetics and interactions near the central gate. Biophysical Journal, 120(9), pp. 1835-1845. 10.1016/j.bpj.2021.03.002

Rempe, S., Hyder, A.G., Morales, B.A., Cappelle, M.A., Percival, S.J., Small, L.J., Spoerke, E.D., & Walker, W.S. (2021). Evaluation of electrodialysis desalination performance of novel bioinspired and conventional ion exchange membranes with sodium chloride feed solutions. Membranes, 11(3). https://doi.org/10.3390/membranes11030217

Rempe, S., Cetuk, H., Anishkin, A., Scott, A.J., & Ernst, R.K. (2021). Partitioning of Seven Different Classes of Antibiotics into LPS Monolayers Supports Three Different Permeation Mechanisms through the Outer Bacterial Membrane. Langmuir, 37(4), pp. 1372-1385. 10.1021/acs.langmuir.0c02652

Rempe, S., Priest, C., Vangordon, M.R., Rempe, C., Stevens, M.J., & Rick, S. (2021). Computing potential of the mean force profiles for ion permeation through channelrhodopsin Chimera, C1C2. Methods in Molecular Biology, 2191, pp. 17-28. 10.1007/978-1-0716-0830-2_2

Powell, A.J., Tezaur, I.K., Davis, W.L., Peterson, K.J., Rempe, S., Smallwood, C.R., & Roesler, E.L. (2020). Predicting Future Disease Burden in a Rapidly Changing Climate. 10.2172/1670999

Rempe, S., Lubkowski, J., Vanegas, J., Chan, W.K., Lorenzi, P.L., Weinstein, J.N., Sukharev, S., Fushman, D., Anishkin, A., & Wlodawer, A. (2020). Mechanism of Catalysis by l -Asparaginase. Biochemistry, 59(20), pp. 1927-1945. 10.1021/acs.biochem.0c00116

Rempe, S., Maldonado, A.M., Basdogan, Y., Berryman, J.T., & Keith, J.A. (2020). First-principles modeling of chemistry in mixed solvents: Where to go from here?. Journal of Chemical Physics, 152(13). 10.1063/1.5143207

Spoerke, E.D., Peretti, A.S., Percival, S.J., Small, L.J., Gross, M.S., Schindelholz, E., Melia, M.A., Rempe, S., Nelson, D., Russo, S., Hill, R., & Cheng, Y. (2020). Controlling Ion Transport in Multilayered Polymer Composites [Conference Poster]. https://www.osti.gov/biblio/1768365

Rempe, S., Basdogan, Y., Groenenboom, M.C., Henderson, E., de, S., & Keith, J.A. (2020). Machine Learning-Guided Approach for Studying Solvation Environments. Journal of Chemical Theory and Computation, 16(1), pp. 633-642. 10.1021/acs.jctc.9b00605

Spoerke, E.D., Peretti, A.S., Percival, S.J., Small, L.J., Gross, M.S., Schindelholz, E., Melia, M.A., Rempe, S., Nelson, D., & Russo, S. (2019). The Ion Seeps Tonight: Assessing Ionic Transport in Multilayered Nanocomposites [Conference Poster]. https://www.osti.gov/biblio/1643247

Rempe, S., Vermaas, J., & Tajkhorshid, E. (2019). Coupling Chemical Energy with Protein Conformational Changes to Translocate Small Molecules Across Membranes. 10.2172/1563079

Percival, S.J., Russo, S., Hill, R., Peretti, A.S., Small, L.J., Rempe, S., & Spoerke, E.D. (2019). Polyelectrolyte Modification of Nanoporous Membranes for Selective Ion Transport in Electrodialysis [Conference Poster]. https://www.osti.gov/biblio/1639715

Coker, E.N., Fu, Y., Jiang, Y.B., Dunphy, D., Xiong, H., Chou, S.S., Zhang, H., Vanegas, J.M., Croissant, J.G., Cecchi, J.L., Rempe, S., & Brinker, C.J. (2018). Ultra-thin enzymatic liquid membrane for CO2 separation and capture. Nature Communications, 9(1). 10.1038/s41467-018-03285-x

Rempe, S., Ma, P., Cardenas, A.E., Chaudhari, M.I., & Elber, R. (2018). Probing Translocation in Mutants of the Anthrax Channel: Atomically Detailed Simulations with Milestoning. Journal of Physical Chemistry B, 122(45), pp. 10296-10305. 10.1021/acs.jpcb.8b08304

Chaudhari, M.I., Muralidharan, A., Rempe, S., Pratt, L.R., & Hoffman, G.G. (2018). Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors. ChemSusChem, 11(12), pp. 1927-1932. 10.1002/cssc.201800323

Chaudhari, M.I., Pratt, L.R., Tan, L., Asthagiri, D., Weeks, J.D., Gao, A., & Rempe, S. (2018). Role of Solute Attractive Forces in the Atomic-Scale Theory of Hydrophobic Effects. Journal of Physical Chemistry B, 122(23), pp. 6272-6276. 10.1021/acs.jpcb.8b01711

Chaudhari, M.I., Pratt, L.R., Rempe, S., & Muralidharan, A. (2018). Comparison of single-ion molecular dynamics in common solvents. Journal of Chemical Physics, 148(22). 10.1063/1.5023121

Chaudhari, M.I., Rempe, S., & Pratt, L.R. (2017). Quasi-chemical theory of F-(aq): The "no split occupancies rule" revisited. Journal of Chemical Physics, 147(16). 10.1063/1.4986244

Kent, M.S., Vanegas, J.M., M, R.D., Carson, B., la Bauve, S., Vernon, B.C., Rempe, S., Heinrich, F., Akgun, B., Satija, S., Zheng, A., & Kielian, M. (2017). Study of Insertion of Dengue E into Lipid Bilayers by Neutron Reflectivity and Molecular Dynamics Simulations [Conference Poster]. https://www.osti.gov/biblio/1457940

Rempe, S., Chaudhari, M.I., Pratt, L.R., Soto, F.A., Balbuena, P.B., & Nair, J.R. (2016). Scaling Atomic Partial Charges of Carbonate Solvents for Lithium Ion Solvation and Diffusion. Journal of Chemical Theory and Computation, 12(12), pp. 5709-5718. 10.1021/acs.jctc.6b00824

Rigali, M.J., Miller, J.E., Altman, S.J., Biedermann, L.B., Brady, P.V., Kuzio, S., Nenoff, T.M., & Rempe, S. (2016). DESALINATION AND WATER TREATMENT RESEARCH AT SANDIA NATIONAL LABORATORIES. 10.2172/1333271

Ruffing, A.M., Bachand, G.D., Timlin, J.A., Manginell, R., Hudson, C.M., Williams, K.P., Rempe, S., Brinker, C.J., Olszewska-Wasiolek, M.A., Hanson, D.J., & Vandernoot, V.A. (2016). SNL Capabilities for IV&V - DARPA BTO [Presentation]. https://www.osti.gov/biblio/1428154

Chaudhari, M.I., Tan, L., Rempe, S., & Pratt, L.R. (2016). Molecular Theory and the Effects of Solute Attractive Forces on Hydrophobic Interactions. Journal of Physical Chemistry B, 120(8), pp. 1864-1870. 10.1021/acs.jpcb.5b09552

Kent, M.S., la Bauve, E., Vernon, B.C., Ye, D., Rogers, D.M., Mayes, C., Carson, B., Rempe, S., Zheng, A., Kielian, M., & Schreve, A.P. (2016). New Method for Measuring the Anchoring Energy of Strongly-Bound Membrane-Associated Proteins [Method for measuring the anchoring energy of strongly-bound membrane-associated proteins]. Biophysical Journal, 110(S1). 10.1016/j.bpj.2015.11.3091

Spoerke, E.D., Small, L.J., Wheeler, D.R., Martinez, A.M., Vandelinder, V., Bachand, G.D., & Rempe, S. (2015). "Eel-ectrifying" Membranes: Toward the development of biomimetic ion-based energy storage [Conference Poster]. https://www.osti.gov/biblio/1340561

Chaudhari, M.I., You, X., Pratt, L.R., & Rempe, S. (2015). Dielectric relaxation of ethylene carbonate and propylene carbonate from molecular dynamics simulations. Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry, 119(50). 10.1021/acs.jpcb.5b09561

Spoerke, E.D., Small, L.J., Wheeler, J.S., Martinez, A.M., Vandelinder, V., Bachand, G.D., & Rempe, S. (2015). Electric Eels: Bizarre Natural Phenomena or Inspiration for Novel Nanocomposite Energy Storage [Conference Poster]. https://www.osti.gov/biblio/1331858

Fenton, K.R., Nagasubramanian, G., Staiger, C.L., Foulk, J.W., Rempe, S., Leung, K., Chaudhari, M.I., & Anderson, T.M. (2015). Organosilicon-Based Electrolytes for Long-Life Lithium Primary Batteries. 10.2172/1222982

Results 1–100 of 189
Results 1–100 of 189