Models of molecular geometry
Chemical Society Reviews2005Vol. 34(5), pp. 396–396
Citations Over TimeTop 10% of 2005 papers
Abstract
Although the structure of almost any molecule can now be obtained by ab initio calculations chemists still look for simple answers to the question "What determines the geometry of a given molecule?" For this purpose they make use of various models such as the VSEPR model and qualitative quantum mechanical models such as those based on the valence bond theory. The present state of such models, and the support for them provided by recently developed methods for analyzing calculated electron densities, are reviewed and discussed in this tutorial review.
Related Papers
- → Ab initio quantum-chemical study of the unimolecular pyrolysis mechanisms of acetic acid(1986)32 cited
- → Methanediol decomposition mechanisms: A study considering various ab initio approaches(1996)18 cited
- → An ab initio study on protonation of some substituted thiazole derivatives(2004)10 cited
- → ESR study and ab initio calculations of some methylbenzoates derivatives.(1986)4 cited
- → The oximes of cyclopropenone, cyclopropanone and acetone and their O- and N-protonated forms. An ab initio and semiempirical quantum chemical study(1993)1 cited