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Start Over Author "Alary, Fabienne" Journal journal of the american chemical society
2 results on '"Alary, Fabienne"'

1. Using effective group potential methodology for predicting organometallic complex properties

Author

Alary, Fabienne, Heully, Jean-Louis, Poteau, Romuald, Maron, Laurent, Trinquier, Georges, and Daudey, Jean-Pierre

Subjects
Cyclopentadiene -- Chemical properties, Coordination compounds -- Research, Organometallic compounds -- Chemical properties, Chemistry
Abstract

Optimal geometries, harmonic vibrational frequencies, and relative energies of different sets of metal complexes are calculated using the effective group potentials (EGP) method. All of the systems under consideration contain the cyclopentadienyl (Cp) ligand.

Published
2003

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