Revisiting the hydration structure of aqueous Na+ von Galib, M., Baer, M. D., Skinner, L. B., Mundy, C. J., Huthwelker, T., Schenter, G. K., Benmore, C. J., Govind, N., Fulton, J. L.

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Effects of Ionic Strength, Salt, and pH on Aggregation of Boehmite Nanocrystals: Tumbler Small-Angle Neutron and X‑ray Scattering and Imaging Analysis von Anovitz, L. M, Zhang, X, Soltis, J, Nakouzi, E, Krzysko, A. J, Chun, J, Schenter, G. K, Graham, T. R, Rosso, K. M, De Yoreo, J. J, Stack, A. G, Bleuel, M, Gagnon, C, Mildner, D. F. R, Ilavsky, J, Kuzmenko, I

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The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation von Skinner, L. B., Galib, M., Fulton, J. L., Mundy, C. J., Parise, J. B., Pham, V.-T., Schenter, G. K., Benmore, C. J.

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A quantitative account of quantum effects in liquid water von Fanourgakis, G. S., Schenter, G. K., Xantheas, S. S.

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Reversible work transition state theory: application to dissociative adsorption of hydrogen von Mills, Gregory, Jónsson, Hannes, Schenter, Gregory K.

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Effect of fine-tuning pore structures on the dynamics of confined water von Kolesnikov, A. I., Anovitz, L. M., Hawthorne, F. C., Podlesnyak, A., Schenter, G. K.

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Unraveling the spectral signatures of solvent ordering in K-edge XANES of aqueous Na+ von Galib, M., Schenter, G. K., Mundy, C. J., Govind, N., Fulton, J. L.

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Frustrated Coulombic and Cation Size Effects on Nanoscale Boehmite Aggregation: A Tumbler Small- and Ultra-Small-Angle Neutron Scattering Study von Anovitz, L. M, Huestis, P, Rampal, N, Stack, A. G, LaVerne, J. A, Zhang, X, Schenter, G. K, Chun, J, Legg, B. A, Liu, L, Bleuel, M, Gagnon, C, Mildner, D. F. R

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Solution Structure and Hydration Forces between Mica and Hydrophilic Versus Hydrophobic Surfaces von Nakouzi, E., Kerisit, S., Legg, B. A., Yadav, S., Li, D., Stack, A. G., Mundy, C. J., Chun, J., Schenter, G. K., De Yoreo, J. J.

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XAFS Debye-Waller factors in aqueous Cr+3 from molecular dynamics von Rehr, J. J., Campbell, L., Schenter, G. K., McCarthy, M. I., Dixon, D.

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Effect of fine-tuning pore structures on the dynamics of confined water von Kolesnikov, A. I., Anovitz, L. M., Hawthorne, F. C., Podlesnyak, A., Schenter, G. K.

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Effect of fine-tuning pore structures on the dynamics of confined water von Kolesnikov, Alexander I., Anovitz, Lawrence {Larry} M., Hawthorne, Frank C., Podlesnyak, Andrey, Schenter, G. K.

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Generalized path integral based quantum transition state theory von Mills, G., Schenter, G.K., Makarov, D.E., Jónsson, H.

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Frustrated Coulombic and Cation Size Effects on Nanoscale Boehmite Aggregation: A Tumbler Small- and Ultra-Small-Angle Neutron Scattering Study von Anovitz, Lawrence M., Huestis, P., Rampal, Nikhil, Stack, Andrew G., LaVerne, J. A., Zhang, X., Schenter, G. K., Chun, J., Legg, B. A., Liu, L., Bleuel, M., Gagnon, C., Mildner, D. R.

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Dynamical benchmarks of the nucleation kinetics of water von Schenter, G. K., Kathmann, S. M., Garrett, B. C.

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Excited States of the Bacteriochlorophyll b Dimer of Rhodopseudomonas viridis: A QM/MM Study of the Photosynthetic Reaction Center That Includes MM Polarization von Thompson, Mark A, Schenter, Gregory K

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A molecular approach to understanding complex systems: computational statistical mechanics using state-of-the-art algorithms on terascale computational platforms von Mundy, C J, Rousseau, R, Curioni, A, Kathmann, S M, Schenter, G K

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Molecular Simulations of the Transport of Molecules across the Liquid/Vapor Interface of Water von Garrett, Bruce C, Schenter, Gregory K, Morita, Akihiro

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The structure of liquid water up to 360 MPa from x-ray diffraction measurements using a high Q-range and from molecular simulation von Skinner, L. B., Galib, M., Fulton, J. L., Mundy, C. J., Parise, J. B., Pham, V. -T., Schenter, G. K., Benmore, C. J.

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Theory of photoinduced twisting dynamics in polar solvents: application to dimethylaminobenzonitrile in propanol at low temperatures von Schenter, G.K., Duke, C.B.

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