Correlation Functions and Quasiparticle Interactions in Condensed Matter von Halley, J.W

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Ewald methods for polarizable surfaces with application to hydroxylation and hydrogen bonding on the (012) and (001) surfaces of α-Fe2O3 von WASSERMAN, E, RUSTAD, J. R, FELMY, A. R, HAY, B. P, HALLEY, J. W

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Molecular dynamics, density functional theory of the metal–electrolyte interface von Price, David L., Halley, J. W.

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First-principles simulations of the electrode|electrolyte interface von Halley, J.W, Mazzolo, A, Zhou, Y, Price, D

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Atomic structure of solid and liquid polyethylene oxide von Johnson, J. A., Saboungi, M.-L., Price, D. L., Ansell, S., Russell, T. P., Halley, J. W., Nielsen, B.

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Simulation methods for chemically specific modeling of electrochemical interfaces von Halley, J.W, Schelling, P, Duan, Y

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Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution von Rustad, James R., Hay, Benjamin P., Halley, J. W.

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Equation of motion method for the electronic structure of disordered transition metal oxides von Michalewicz, Marek T.

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Equation of motion method for the electronic structure of disordered transition metal oxides von Michalewicz, Marek T.

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Studies of the interdependence of electronic and atomic dynamics and structure at the electrode-electrolyte interface von Halley, J.W.

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Simulation of battery components and interfaces on the atomic scale: examples of what we can learn von Halley, J.W, Duan, Yuhua

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Variational Monte Carlo Studies of the Rate of Transmission of an Atomic Helium Beam through a Slab of Superfluid Helium by a Condensate Mediated Process von Setty, A. K., Halley, J. W., Campbell, C. E.

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Model for the electrostatic response of the copper–water interface von Walbran, S., Mazzolo, A., Halley, J. W., Price, David Lee

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On the Marcus model of electron transfer at immiscible liquid interfaces and its application to the semiconductor/liquid interface von Smith, B.B., Halley, J.W., Nozik, A.J.

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A novel approach to the observation of the condensate fraction in superfluid helium four von Halley, J.W.

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JAHN-TELLER EFFECT IN LIQUIDS - GENERAL-PRINCIPLES AND A MOLECULAR-DYNAMICS SIMULATION OF THE CUPRIC ION IN WATER von CURTISS, L, HALLEY, JW, WANG, XR

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Temperature dependence of the heterogeneous ferrous-ferric electron transfer reaction rate : comparison of experiment and theory von CURTISS, L. A, HALLEY, J. W, HAUTMAN, J, HUNG, N. C, NAGY, Z, RHEE, Y.-J, YONCO, R. M

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Many-body effects in ion-water interactions: Fe 3+ in water von Curtiss, L.A., Halley, J.W., Hautman, J.

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Molecular dynamics study of the Cu-water interface in the presence of chlorine von ZHOU, Y, MAZZOLO, A, PRICE, D. L, HALLEY, J. W

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Electronic Structure of the Passivation Layer: New Computational Methods and Results von Halley, J.W., Yu, N.

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