Search results
Results from the WOW.Com Content Network
This lists the character tables for the more common molecular point groups used in the study of molecular symmetry. These tables are based on the group-theoretical treatment of the symmetry operations present in common molecules, and are useful in molecular spectroscopy and quantum chemistry. Information regarding the use of the tables, as well ...
Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths , bond angles , torsional angles and any other geometrical parameters that determine the position of each atom.
For the simplest AH 2 molecular system, Walsh produced the first angular correlation diagram by plotting the ab initio orbital energy curves for the canonical molecular orbitals while changing the bond angle from 90° to 180°. As the bond angle is distorted, the energy for each of the orbitals can be followed along the lines, allowing a quick ...
Main page; Contents; Current events; Random article; About Wikipedia; Contact us; Pages for logged out editors learn more
Some inorganic solids dissociate - or crack - into molecular species heating or upon dissolving, e.g. Aluminium chloride. In such cases it is helpful to depict both the molecular and the nonmolecular forms. Some important chemical species cannot be easily represented with simple pictures, e.g. hydrochloric acid and non-stoichiometric compounds.
In some important cases (topological index calculation etc.) the following classical definition is sufficient: a molecular graph is a connected, undirected graph which admits a one-to-one correspondence with the structural formula of a chemical compound in which the vertices of the graph correspond to atoms of the molecule and edges of the ...
The activation strain model was originally proposed and has been extensively developed by Bickelhaupt and coworkers. [4] This model breaks the potential energy curve as a function of reaction coordinate, ζ, of a reaction into 2 components as shown in equation 1: the energy due to straining the original reactant molecules (∆E strain) and the energy due to interaction between reactant ...
ACD/ChemSketch is freeware available for personal, home, and educational use from ACDlabs.It has comprehensive chemical drawing features and can directly connect to PubChem, eMolecules and Chemspider to search these large databases by structure or substructure.