๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Performance of Density Functional Theory for 3d Transition Metal-Containing Complexes: Utilization of the Correlation Consistent Basis Sets

โœ Scribed by Tekarli, Sammer M.; Drummond, Michael L.; Williams, T. Gavin; Cundari, Thomas R.; Wilson, Angela K.


Book ID
121726670
Publisher
American Chemical Society
Year
2009
Tongue
English
Weight
216 KB
Volume
113
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


The relative performance of the local de
โœ Mark R. Bray; Robert J. Deeth; Veronica J. Paget; Paul D. Sheen ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 157 KB ๐Ÿ‘ 2 views

Optimized metalแސligand MแސL bond lengths for 17 classical Werner-type transition-metal ลฝ . complexes were calculated using the local density approximation LDA and a gradient-ลฝ . ## corrected GC extension. GCs lengthen the bonds by between 0.02 and 0.09 A relative to หšthe LDA results. The latter ran