The theory of intermolecular forces has advanced very greatly in recent years. It has become
possible to carry out accurate calculations of intermolecular forces for molecules of useful …

A black-box type procedure is presented for the generation of a molecule-specific,
intermolecular potential energy function. The method uses quantum chemical (QC) …

The study of intermolecular forces is important for applications in many different branches of
science. Crystallography, molecular biology, surface and colloid chemistry, molecular …

In this chapter we review the basic features and the principles underlying molecular
mechanics force fields commonly used in molecular modeling of biological macromolecules …

When energy is critical quantity, accurate biomolecular simulations rest in substantial part on
accurate potential energy functions (force fields). Improvements in methodology for …

The investigation of many-body effects in intermolecular interactions hasassumed
increasing promi-nence as modern experimental and computational technology has …

We explore and discuss several important issues concerning the derivation of many-body
force fields from ab initio quantum chemical data. In particular, we seek a general …

Theory of Intermolecular Forces deals with the exposition of the principles and techniques of
the theory of intermolecular forces. The text focuses on the basic theory and surveys other …

The types of forces that are involved in the interactions between molecules vary across a
wide spectrum from very strong, as in ion-ion interactions, to the much weaker forces that are …

We present the derivation of a new molecular mechanical force field for simulating the
structures, conformational energies, and interaction energies of proteins, nucleic acids, and …