Theoretical and computational inorganic chemistry /

• Other Authors: Eldik, Rudi van, Harvey, Jeremy
• Format: eBook
• Language: English
• Published: London ; Burlington, MA : Academic Press, 2010.
• Edition: 1st ed.
• Series: Elsevier chemistry book series.; Advances in inorganic chemistry ; v. 62.
• Subjects: Chemistry, Inorganic.; Chemistry, Physical and theoretical.; Chemistry > Data processing.; SCIENCE > Chemistry > Inorganic.; Electronic books.

The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves a...

Table of Contents:

• Cover; Advances in Inorganic Chemistry; Copyright; Contents; List of Contributors; Preface; Molecular Mechanics for Transition Metal Centers:From Coordination Complexes to Metalloproteins; Calculation of Magnetic Circular Dichroism SpectraWith Time-Dependent Density Functional Theory; Theoretical Investigation of Solvent Effects and Complex Systems: Towardthe calculations of bioinorganic systems from ab initio molecular dynamicssimulations and static quantum chemistry; Simulations of Liquids and Solutions Basedon Quantum Mechanical Forces; Spin Interactions in Cluster Chemistry.