Preface |
Electronic Properties of the Metal--Solvent Interface |
Electronic Structure Studies of the Interaction of Water with a Cu(100) Surface / Peter Zapol ; Conrad A. Naleway ; Peter W. Deutsch ; Larry A. Curtiss1.: |
Direct Dynamics Simulations of the Copper--Water Interface: Successes and Problems / Sean Walbran ; J. W. Halley2.: |
Electronic Properties at a Metal--Solution Interface as Viewed by Solid-State NMR / YuYe Tong ; Cynthia Rice ; Eric Oldfield ; Andrzej Wieckowski3.: |
Modeling Reaction Rates |
Calculating Adiabatic Potential Energy Surfaces for Electrochemical Reactions / W. Schmickler4.: |
Modeling Metal Dissolution in Aqueous Electrolyte: Hartree--Fock and Molecular Dynamics Calculations / R. I. Eglitis ; S. V. Izvekov ; M. R. Philpott5.: |
Electron Wave Packet Propagation Studies of Electron Transfer at the Semiconductor--Liquid Interface / B. B. Smith6.: |
Oxides at Liquid--Solid Interfaces |
An X-ray Diffraction Study of the Passive Oxide Film on Iron / Mary P. Ryan ; Michael F. Toney ; Lucy J. Oblonsky ; Alison J. Davenport7.: |
Modeling Dynamic Properties of Mineral Surfaces / N. H. de Leeuw ; S. E. Redfern ; D. J. Cooke ; D. J. Osguthorpe ; S. C. Parker8.: |
Molecular Statics Calculations of Acid--Base Reactions on Magnetite(001) / James R. Rustad ; Andrew R. Felmy9.: |
Electronic Structure and Chemical Reactivity of Metal Oxides--Water Interfaces / Thanh N. Truong ; Michael A. Johnson ; Eugene V. Stefanovich10.: |
Modeling of Semiconductor--Electrolyte Interfaces with Tight-Binding Molecular Dynamics / P. K. Schelling11.: |
Organic Liquid--Solid Interfaces |
Structural and Dynamic Properties of Hexadecane Lubricants under Shear Flow in a Confined Geometry / Yanhua Zhou ; Tahir Cagin ; Elaine S. Yamaguchi ; Andrew Ho ; Rawls Frazier ; Yongchun Tang ; William A. Goddard III12.: |
Complete Spreading of Liquid Droplets on Heterogeneous Substrates: Simulations and Experiments / M. Voue ; S. Semal ; C. Bauthier ; J. J. Vanden Eynde ; J. De Coninck13.: |
Indexes |
Author Index |
Subject Index |
Preface |
Electronic Properties of the Metal--Solvent Interface |
Electronic Structure Studies of the Interaction of Water with a Cu(100) Surface / Peter Zapol ; Conrad A. Naleway ; Peter W. Deutsch ; Larry A. Curtiss1.: |