Some comments on approximate LCAO molecular orbital theory in organometallic chemistry: Getting more by doing less?
- 1 January 1991
- journal article
- Published by Walter de Gruyter GmbH
- Vol. 63 (6) , 839-844
- https://doi.org/10.1351/pac199163060839
Abstract
The use of approximate LCAO molecular orbital theory as an electronic structural tool in organometallic chemistry is briefly reviewed. disadvantages of these approximate methods as compared to rigorous Hartree-Fock calculations. The author offers his opinions concerning the advantages andKeywords
This publication has 6 references indexed in Scilit:
- A density functional investigation of the Bursten ligand additivity model for the d6 octahedral complexes [Mn(CO)n(CNMe)(6−n)]+ (M=Mn(I), Cr(0))Inorganica Chimica Acta, 2009
- Synthesis, redox chemistry, molecular and electronic structure of some cyclopentadienylcobalt pentafulvene complexesJournal of Organometallic Chemistry, 1999
- Cluster forming and cage fusion in metallacarborane chemistryCoordination Chemistry Reviews, 1995
- An analysis of the bonding in some ‘nonclassical’ d0 and d10 metal carbonyl complexesInorganica Chimica Acta, 1995
- Synthesis and experimental/theoretical investigation of the high-nuclearity cubic Td [Au6Ni12(CO)24]2− cluster, an initial example of a discrete gold-nickel bimetallic-bonded species: comparative analysis of the results of electron-counting methods and the Fenske-Hall MO model in rationalizing the bonding interactions of its Au6Ni12 core consisting of five face-fused metal octahedraInorganica Chimica Acta, 1994
- Elektronenstruktur von [(η5‐C5H5)2Co2]: Kommentar zur Existenz eines Komplexes mit einer unverbrückten Co‐Co‐DoppelbindungAngewandte Chemie, 1992