Concepedia

The influence of the ligand structure on activation of hafnocene polymerization catalysts: A theoretical study

Virve A. Karttunen, Mikko Linnolahti, A. Turunen, Tapani A. Pakkanen, John R. Severn, Janne Maaranen, Esa Kokko, Päivi Pitkänen

Journal of Organometallic Chemistry · 2007 · 14 citations · 36 references

DOI

Concepts

References

36

Density-functional thermochemistry. III. The role of exact exchange

Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations

, , +13

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Chengteh Lee, Weitao Yang, Robert G. Parr · Physical review. B, Condensed matter · 1988 · 100.1K citations

, , +17

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Philip J. Stephens, F. J. Devlin, Cary F. Chabalowski et al. · The Journal of Physical Chemistry · 1994 · 23.1K citations

, , +16

Advanced inorganic chemistry

Choice Reviews Online · 1999 · 14.3K citations

, , +7

<i>Ab initio</i> effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg

P. Jeffrey Hay, Willard R. Wadt · The Journal of Chemical Physics · 1985 · 13.7K citations

, , +16