Perturbation Theory for Intermolecular Forces Including Exchange

Intermolecular forces.

The nature of molecular interactions is examined. Intermolecular forces are divided into long-range and short-range components; the former operate at distances where the effects of electron exchange are negligible and decrease as an inverse power of the separation. The long-range interactions may be subdividied into electrostatic, induction and dispersion contributions, where the electrostatic ...

Intermolecular Interactions via Perturbation Theory: From Diatoms to Biomolecules

This article is devoted to the most recent, i.e. taking place within the last few years, theoretical developments in the field of intermolecular interactions. The most important advancement during this time period was the creation of a new version of symmetry-adapted perturbation theory (SAPT) which is based on the density-functional theory (DFT) description of monomers. This method, which will...

Perturbation analyses of intermolecular interactions.

Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to t...

Intermolecular Forces and Biological Specificity.

* Contribution no. 442, Department of Plant Breeding, Cornell University. Work reported here was done under contract AT-(30-1)-2139, U.S. Atomic Energy Commission. Falk, R., and A. Rahat, these PROCEEDINGS, 49, 292 (1963). 2 Wallace, B., in Molecular Genetics and Human Disease, ed. L. S. Gardner (Springfield, Ill.: C C Thomas, 1961). 3 Wallace, B., Evolution, 12, 532 (1958). 4 Wallace, B., and ...

SAPT A Program for Many Body Symmetry Adapted Perturbation Theory Calculations of Intermolecular Interaction Energies