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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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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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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Accurate prediction of the thermodynamic properties of fluids in the system H{sub 2}O-CO{sub 2}-CH{sub 4}-N{sub 2} up to 2000 K and 100 kbar from a corresponding states/one fluid e... von Duan, Z., Moeller, N., Weare, J.H.

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Calculation of multicomponent ionic diffusion from zero to high concentration: I. The system Na-K-Ca-Mg-Cl-SO sub 4 -H sub 2 O at 25 degree C von Felmy, A.R., Weare, J.H.

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A chemical equilibrium algorithm for highly non-ideal multiphase systems: Free energy minimization von Harvie, Charles E., Greenberg, Jerry P., Weare, John H.

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Reply to comment by J. J. Carroll on “The prediction of methane solubility in natural waters to high ionic strength from 0 to 250°C and from 0 to 1600 bar” von Duan, Z., Weare, J.H.

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NWChem: Past, present, and future von Edoardo, Aprà, Bylaska, Eric, Jong, Wibe de, Govind, Niranjan, Kowalski, Karol, Valiev, Marat, Dam, H. J. J. van, Alexeev, Yuri, Anchell, J, Anisimov, V, Aquino, F.W, Atta-Fynn, R, Autschbach, Jochen, Bauman, Nicholas, Bernholdt, David E, Bhaskaran-Nair, K, Bogatko, S, Boschen, J, Bruner, A, Chen, Yueh‐Nan, Chuev, Gennady N, Cramer, Christopher J, Daily, John W, Dunning, Thom H, Dupuis, Michel, Dyall, Kenneth G, Fann, George I, Fischer, Sean A, Fonari, A, Früchtl, H, Gagliardi, Laura, Garza, Jorge, Gawande, Neha, Ghosh, Soumen, Götz, Andreas W, Hammond, Jeff, Helms, Volkhard, Hermes, Eric D, Hirao, Kimihiko, Hirata, So, Jacquelyn, M, Jensen, Lasse, Johnson, Benny, Jónsson, Hannes, Kendall, Roger A, Klemm, Michael, Kobayashi, Rika, Krishnamoorthy, S, Krishnan, M, Lin, Z, Lins, R.D, Littlefield, R.J, Logsdail, A.J, Lopata, Kenneth, Ma, W, Marenich, A.V, Martin del Campo, Jorge, Mejia-Rodriguez, Daniel, Moore, J.E, Mullin, J.M, Nakajima, Takahito, Nichols, J.A, Nichols, P.J, Nieplocha, J, Otero-de-la-Roza, A, Palmer, B, Panyala, Ajay, Pirojsirikul, Teerapong, Peng, Bo, Peverati, Roberto, Pollack, L, Richard, Ryan M, Schatz, George C, Shelton, W.A, Silverstein, D.W, Smith, D.M.A, Soares, Thereza A, Song, Duo, Taylor, H.L, Thomas, G.S, Tipparaju, V, Truhlar, Donald G, Voorhis, T. Van, Verma, Prakash, Villa, O, Vishnu, A, Vogiatzis, K.D, Wang, Dunyou, Weare, J.H, Williamson, Mark J, Windus, T.L, Woliński, K, Wong, A.T, Wu, Qin, Yang, Chao, Yu, Qingquan, Zacharias, Michael, Zhang, Zhiyong, Zhao, Yan, Harrison, R.J

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Molecular dynamics simulation of PVT properties of geological fluids and a general equation of state of nonpolar and weakly polar gases up to 2,000 K and 20,000 bar von Zhenhao Duan, Moeller, N., Weare, J.H.

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Calculation of multicomponent ionic diffusion from zero to high concentration: II. Inclusion of associated ion species von Felmy, Andrew R, Weare, John H

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The prediction of methane solubility in natural waters to high ionic strength from 0 to 250C and from 0 to 1,600 bar von Zhenhao Duan, Moeller, N., Greenberg, J., Weare, J.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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Helium scattering from solid surfaces von Weare, John H.

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Hydrogen atom scattering from physisorbed overlayers: I. Diffraction von Ellis, T.H, Scoles, G, Valbusa, U, Jónsson, H, Weare, J.H

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Resonant and kinematical enhancement of He scattering from LiF(001) surface and pseudosurface vibrational normal modes von NICHOLS, W. L, WEARE, J. H

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Hydrogen atom scattering from physisorbed overlayers von Ellis, T.H, Scoles, G, Valbusa, U, Jónsson, H, Weare, J.H

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Homonuclear diatomic scattering from solid surfaces: A hard cube model von Nichols, William L., Weare, John H.

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Rotational energy distributions for homonuclear diatomic beams scattered from solid surfaces: A hard-cube model von Nichols, William L., Weare, John H.

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A convergent perturbative solution to the attractive corrugated hard wall model of atom–surface scattering von Wolfe-Brannon, Karen, Weare, John H.

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Nonlinear response I von Weare, J.H., Oppenheim, I.

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