Overview: Nucleation of clathrate hydrates von Warrier, Pramod, Khan, M. Naveed, Srivastava, Vishal, Maupin, C. Mark, Koh, Carolyn A.

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Anion exchange membranes composed of a poly(2,6-dimethyl-1,4-phenylene oxide) random copolymer functionalized with a bulky phosphonium cation von Liu, Ye, Zhang, Bingzi, Kinsinger, Corey L., Yang, Yuan, Seifert, Soenke, Yan, Yushan, Mark Maupin, C., Liberatore, Matthew W., Herring, Andrew M.

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The LUX-ZEPLIN (LZ) experiment von Akimov, D.Yu, Angelides, N., Araújo, H.M., Armstrong, J.E., Balashov, S., Baxter, A., Belle, J., Bhatti, A., Birrittella, B., Boulton, E.M., Branson, S., Bugaev, V.V., Campbell, J.S., Chiller, A.A., Colling, D., Coughlen, R., Curran, D., da Cunha, J.P., Dardin, S., Davison, T.J.R., de Viveiros, L., Dobson, J.E.Y., Edberg, T.K., Elnimr, M.M., Fruth, T., Gaitskell, R.J., Garcia, D., Geffre, A., Ghag, C., Gibson, E., Gilchriese, M.G.D., Hans, S., Harrison, A., Holtom, E., Ignarra, C.M., Irving, M.N., Johnson, M., Jones, W.G., Kim, W.T., Kocher, C.D., Kravitz, S.W., Kumpan, A.V., Kyre, S., Lee, H.S., Lee, C., Lenardo, B.G., Leonard, R., Lesko, K.T., Liu, Y., Liao, J., Lin, J., Linehan, R., Liu, R., Loniewski, C., Lucero, D., Lynch, C., Manenti, L., McKinsey, D.N., McLaughlin, J., Mei, D.-M., Meng, Y., Naim, D., Nehrkorn, C., Nelson, H.N., Nikkel, J.A., Nilima, A., Oliver-Mallory, K.C., Pagenkopf, D., Palmaccio, V.M., Palmer, J., Pangilinan, M., Penning, B.P., Pereira, G., Peterson, I.B., Piepke, A., Pierson, S., Powell, S., Ratcliff, B.N., Rosero, R., Rynders, D., Sarychev, M., Severson, M., Silva, C., Smith, R.J., Stephenson, S., Studley, R., Sundarnath, K., Szydagis, M., Terman, P.A., Thomas, K.J., Tiedt, D.R., Tronstad, D.R., Tull, C.E., Walcott, S., Wang, L., Wei, W.-Z., Witherell, M.S., Xiang, X., Xiao, Q., Yeh, M.

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Application of the SCC-DFTB Method to Hydroxide Water Clusters and Aqueous Hydroxide Solutions von Choi, Tae Hoon, Liang, Ruibin, Maupin, C. Mark, Voth, Gregory A

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ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling von Bennett, W F Drew, Bernardi, Austen, Ozturk, Tugba Nur, Ingólfsson, Helgi I, Fox, Stephen J, Sun, Delin, Maupin, C Mark

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In silico insights into the solvation characteristics of the ionic liquid 1-methyltriethoxy-3-ethylimidazolium acetate for cellulosic biomass von Schutt, Timothy C, Bharadwaj, Vivek S, Hegde, Govind A, Johns, Adam J, Mark Maupin, C

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The LUX-ZEPLIN (LZ) radioactivity and cleanliness control programs von Alquahtani, A., Anderson, T. J., Armstrong, J. E., Bai, X., Baxter, A., Bernard, E. P., Bernstein, A., Bhatti, A., Boast, K. E., Bramante, R., Branson, S., Bugaev, V. V., Burdin, S., Cabrita, R., Carels, C., Carlsmith, D. L., Carmona-Benitez, M. C., Chan, C., Cherwinka, J. J., Chott, N. I., Curran, D., Currie, A., Dahl, C. E., Decheine, N., Dobi, A., Druszkiewicz, E., Flaecher, H., Fruth, T., Gantos, N. J., Gehman, V. M., Hasselkus, C., Hertel, S. A., Huang, D. Q., Jahangir, O., Jeffery, S. N., Johnson, J., Kamaha, A., Khaleeq, M., Khurana, I., Kim, Y. D., Korolkova, E. V., Kras, J., Kudryavtsev, V. A., Lambert, A. R., Larsen, N. A., Leason, E. A., Li, J., Liu, R., Lopes, M. I., Lyle, J. M., Lynch, C., MarrLaundrie, P., Martin, T. J., McKinsey, D. N., Mizrachi, E., Molash, D., Neves, F., Nikkel, J. A., Nilima, A., Olcina, I., Olevitch, M. A., Pagenkopf, D., Pal, S., Palladino, K. J., Pereira, C., Piepke, A., Pierson, S., Powell, S., Reichenbacher, J., Sabarots, L., Sazzad, A. B. M. R., Shutt, G. W., Silk, J. J., Silva, C., Skulski, W., Smith, A. R., Smith, R. E., Solovov, V. N., Sosnovtsev, V. V., Stancu, I., Stifter, K., Studley, R., Sutcliffe, P., Taylor, W. C., Taylor, R., Temples, D., Thomson, J. A., Tomás, A., Verbus, J. R., Vietanen, T., Walcott, S., Wang, W., Migneault, J., White, R. G., Wilson, K., Witherell, M. S., Wolfs, F. L. H., Xu, J., Yeh, M., Zarzhitsky, P.

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Elucidating the conformational energetics of glucose and cellobiose in ionic liquids von Bharadwaj, Vivek S, Schutt, Timothy C, Ashurst, Timothy C, Maupin, C Mark

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A Novel Optical Diagnostic for In Situ Measurements of Lithium Polysulfides in Battery Electrolytes von Saqib, Najmus, Silva, Cody J., Maupin, C. Mark, Porter, Jason M.

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Electronic Structure and Spectroscopic Analysis of 1‑Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ion Pair von Vyas, Shubham, Dreyer, Christopher, Slingsby, Jason, Bicknase, David, Porter, Jason M, Maupin, C. Mark

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The Self-Consistent Charge Density Functional Tight Binding Method Applied to Liquid Water and the Hydrated Excess Proton: Benchmark Simulations von Maupin, C. Mark, Aradi, Bálint, Voth, Gregory A

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Dynamic free energy surfaces for sodium diffusion in type II silicon clathrates von Slingsby, J. G, Rorrer, N. A, Krishna, L, Toberer, E. S, Koh, C. A, Maupin, C. M

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Computational Evaluation of the Dynamic Fluctuations of Peripheral Loops Enclosing the Catalytic Tunnel of a Family 7 Cellobiohydrolase von Granum, David M., Schutt, Timothy C., Maupin, C. Mark

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Elucidation of the Proton Transport Mechanism in Human Carbonic Anhydrase II von Maupin, C. Mark, McKenna, Robert, Silverman, David N, Voth, Gregory A

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Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II von Taraphder, Srabani, Maupin, C. Mark, Swanson, Jessica M. J, Voth, Gregory A

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Impact of Water-Dilution on the Solvation Properties of the Ionic Liquid 1‑Methyltriethoxy-3-ethylimidazolium Acetate for Model Biomass Molecules von Schutt, Timothy C, Hegde, Govind A, Bharadwaj, Vivek S, Johns, Adam J, Maupin, C. Mark

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Proton Solvation and Transport in Aqueous and Biomolecular Systems:  Insights from Computer Simulations von Swanson, Jessica M. J, Maupin, C. Mark, Chen, Hanning, Petersen, Matt K, Xu, Jiancong, Wu, Yujie, Voth, Gregory A

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Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules von Drew Bennett, W F, Fox, Stephen J, Sun, Delin, Maupin, C Mark

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The impact of active site protonation on substrate ring conformation in Melanocarpus albomyces cellobiohydrolase Cel7B von Schutt, Timothy C, Bharadwaj, Vivek S, Granum, David M, Maupin, C. Mark

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Insights into the Glycyl Radical Enzyme Active Site of Benzylsuccinate Synthase: A Computational Study von Bharadwaj, Vivek S, Dean, Anthony M, Maupin, C. Mark

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