Variance Reduction for Particle Filters of Systems With Time Scale Separation von Givon, D., Stinis, P., Weare, J.

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GPCRDB: An information system for G protein-coupled receptors von Horn, F., Weare, J., Beukers, M. W., Hörsch, S., Bairoch, A., Chen, W., Edvardsen, Ø., Campagne, F., Vriend, G.

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Quantum mechanical calculations related to ionization and charge transfer in DNA von Cauet, E, Valiev, M, Weare, J H, Lievin, J

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The Brownian fan von Hairer, M, Weare, J

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The Projector-Augmented Plane Wave Method Applied to Molecular Bonding von Valiev, M, Weare, J. H

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Calculations of the electronic structure of 3d transition metal dimers with projector augmented plane wave method von Valiev, M., Bylaska, E. J., Weare, J. H.

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NWChem: Past, present, and future von Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Aquino, F. W., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J. O., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, H., Gagliardi, L., Garza, J., Ghosh, S., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Klemm, M., Kobayashi, R., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J., Lopata, K., Marenich, A. V., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Woliński, K., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y.

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Ab initio molecular dynamics simulations of aluminum ion solvation in water clusters von Lubin, M.I., Bylaska, E.J., Weare, J.H.

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Instability of the B12 icosahedral cluster : rearrangement to a lower energy structure von KAWAI, R, WEARE, J. H

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The prediction of borate mineral equilibria in natural waters: Application to Searles Lake, California von Felmy, Andrew R., Weare, John H.

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The Role of the Putative Catalytic Base in the Phosphoryl Transfer Reaction in a Protein Kinase:  First-Principles Calculations von Valiev, Marat, Kawai, R, Adams, Joseph A, Weare, John H

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From van der Waals to metallic bonding: The growth of Be clusters von Kawai, R, Weare, JH

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Improvement in the specificity of assays for detection of antibody to hepatitis B core antigen von WEARE, J. A, ROBERTSON, E. F, MADSEN, G, HU, R, DECKER, R. H

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Characterization of a reduction-sensitive factor from human plasma responsible for apparent false activity in competitive assays for antibody to hepatitis B core antigen von ROBERTSON, E. F, WEARE, J. A, RANDELL, R, HOLLAND, P. V, MADSEN, G, DECKER, R. H

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Investigation on the reaction mechanism of ribonuclease enzymes von Elsässer, B, Valiev, M, Weare, J, Fels, G

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Prediction of boiling, scaling and formation conditions in geothermal reservoirs using computer programs tequil and geofluids von Duan, Zhenhao, Møller, Nancy, DeRocher, Ted, Weare, John H.

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Molecular dynamics simulation of water properties using RWK2 potential: From clusters to bulk water von Duan, Zhenhao, Møller, Nancy, Wears, John H.

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A general equation of state for supercritical fluid mixtures and molecular dynamics simulation of mixture PVTX properties von Duan, Zhenhao, Møller, Nancy, Weare, John H.

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Equation of state for the NaCl-H2O-CO2 system: prediction of phase equilibria and volumetric properties von Duan, Zhenhao, Møller, Nancy, Weare, John H.

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Structural and dynamical properties of van der Waals clusters with impurities von Garzón, I.L., Long, X.P., Kawai, R., Weare, J.H.

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