PM3(tm) Analysis of Transition-Metal Complexes
- 24 February 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 39 (2) , 376-381
- https://doi.org/10.1021/ci980145d
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- Molecular Modeling of Vanadium−Oxo Complexes. A Comparison of Quantum and Classical MethodsThe Journal of Physical Chemistry A, 1998
- A Contribution to the Understanding of Carbonyl Migration in Mn2(CO)10 via the Pairwise Exchange MechanismThe Journal of Physical Chemistry A, 1997
- Evaluation of PM3(tm) as a Geometry Generator in Theoretical Studies of Transition-Metal-Based Catalysts for Polymerizing OlefinsJournal of Molecular Modeling, 1997
- An application of the reaction field theory to hydrated metal cations in the framework of the MNDO, AM1, and PM3 methodsJournal of Computational Chemistry, 1995
- Optimization and application of lithium parameters for PM3Journal of Computational Chemistry, 1993
- The first stable zirconium alkylidene complex formed via .alpha.-hydrogen abstraction: synthesis and x-ray crystal structure of [.eta.5-C5H3-1,3-(SiMe2CH2PPri2)2]Zr:CHPh(Cl)Journal of the American Chemical Society, 1993
- Methane vs benzene activation via transient tantalum amido-imido complex tert-Bu3SiNHTa(:NSiBu3-tert)2: structure of (py)2MeTa(:NSiBu3-tert)2Inorganic Chemistry, 1993
- Optimization of parameters for semiempirical methods II. ApplicationsJournal of Computational Chemistry, 1989
- Optimization of parameters for semiempirical methods I. MethodJournal of Computational Chemistry, 1989
- Transition-metal complexes with derivatives of divalent silicon, germanium, tin, and lead as ligandsChemical Reviews, 1986