Nonbonded Interactions

Document Type

Contribution to Book

Journal/Book Title

Computational Medicinal Chemistry and Drug Discovery

Publication Date



Marcel Dekker (now Taylor & Francis)


Patrick Bultinck, Hans De Winter, Wilfried Langenaeker & Jan P. Tollenaere


Anyone who has taken a general chemistry class has some sense of what is meant by a bonding interaction. When one draws the structure of a molecule, whether in two dimensions, as in a simple Lewis dot structure, or three dimensions using VSEPR or some other representation, the lines that are drawn between the various atomic nuclei represent covalent bonds or "bonding interactions." This bond might be a single bond, as the O-H bonds in water, a double bond as in ethylene, or a triple bond for which acetylene serves as the most common example. In most cases, this covalent bond represents a shared pair of electrons and represents a good deal of binding energy holding the two atoms together, typically on the order of 50-100 kcal/mol.


Originally published by Taylor Francis (formerly Marcel Dekker). Limited preview of book chapter available through remote link.
This book can be purchased through the publisher.