Intermolecular Forces of Organic Molecules: Analysis of Intermolecular Interaction Energy by <i>Ab Initio</i> Molecular Orbital Calculations (in Japanese)

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 ...

Forty years of ab initio calculations on intermolecular forces

This review sketches the development of methods for the computation of intermolecular forces; emphasis is placed on dispersion forces. The last forty years, which saw the birth, growth, and maturation of ab initio methods, are reviewed.

An Intermolecular Potential Function for Cyclen-Water Derived from Ab-initio Molecular Orbital Calculations

für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...

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 ...

Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid