TY  - BOOK
AU  - Comba,Peter
AU  - Hambley,Trevor W.
AU  - Martin,Bodo
TI  - Molecular modeling of inorganic compounds
SN  - 9783527317998 (hbk.)
AV  - QD480 .C66 2009
U1  - 541.22 COM/Mol 22
PY  - 2009///
CY  - Weinheim
PB  - Wiley-VCH
KW  - Inorganic compounds
KW  - Mathematical models
KW  - Chemical models
N1  - Includes bibliographical references and index; pt. 1. Theory. Introduction -- Molecular modeling methods in brief -- Parameterization, approximations and limitations of molecular mechanics -- Computation -- The multiple minima problem -- Conclusions -- pt. 2. Applications. Structural aspects -- Stereoselectivities -- Metal ion selectivity -- Spectroscopy -- Electron transfer -- Electronic effects -- Bioinorganic chemistry -- Organometallics -- Compounds with s-, p-, and f-block elements -- pt. 3. Practice of molecular mechanics. The model, the rules, and the pitfalls -- Tutorial
N2  - Molecular modeling is a well-established and powerful tool for the investigation of complex structures. This text shows how this method can be applied to inorganic and coordination compounds
ER  -