This article reviews recent developments and applications in the area of computational
electrochemistry. Our focus is on predicting the reduction potentials of electron transfer and …

302 SHARP & HONIG who then jumped in unison to the great amusement of the onlookers
(67a). The point of the story, in the context of the article,. was that" electrostatics was not …

I. An Overview of Different Approaches to Studying Chemistry in Solution This paper is a
report on the state of the art and on the perspectives of the theoretical treatments of solvent …

A reliable theoreticaltreatment of chemical processes which occur in aqueous solution
requires accurate methods for calcu-lating solvation free energies. A number of theoretical …

The hydration free energies of ions exhibit an approximately quadratic dependence on the
ionic charge, as predicted by the Born model. We analyze this behavior using second-order …

Within the framework of the revised HKF (HC Helgeson, DH Kirkham and GC Flowers, Am. J.
Sci., 1981, 281, 1249) equations of state (JC Tanger IV and HC Helgeson, Am. J. Sci., 1988 …

1. Introduction 172. Dynamics of many-body systems 192.1 Effective dynamics of reduced
systems 212.2 The constraint of thermodynamic equilibrium 242.3 Mean-field theories 253 …

An analytical treatment of the continuum model for electrostatic solvation is presented and
shown to be in good agreement with numerical finite-difference continuum calculations for …

1. Introduction Knowledge of the pA, values of ionizable groups is important for an
understanding of many areas of chemistry, both in the gas phase and solution. They are of …

▪ Abstract Considerable recent progress has been made in the field of ab initio protein
structure prediction, as witnessed by the third Critical Assessment of Structure Prediction …