Title: Theoretical Structures of Molecules: Multiple Bonds
Author: Hampel, F.
Editor: von Ragué Schleyer, P.
Source: Landolt-Börnstein, New Series
RefComment: VIII, 193 pages. Hardcover
Abstract: Volume II/22 presents computed geometries. Quantum chemical computations provide an excellent alternative to experimental methods for the determination of accurate structures of polyatomic molecules. The objective is not to duplicate, but rather to complement the existing literature. An advantage of computational chemistry over experimental methods is the possi-bility to obtain reliable geometries of molecules, even of important systems, which are difficult to synthesize, isolate, and to study experimentally.