UDOMIJ Reaction Path - Lanthanide Complexes Computational Chemistry

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Uploaded by on Mar 26, 2010

Lanthanide Complexes Computational Chemistry. We will comput, using Sparkle Model, the reaction path for the coordination of the water molecule in UDOMIJ [Aqua-(diethylenetriamine-bis(acetic acid methylamide)triacetato)-gadolinium]. Reaction path calculations allow the study of the intricate details of complexation mechanisms. One can actually observe the dynamics of complexation.

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