The influence of the Jahn-Teller effect and of heteroligands on the reactivity of Cu2+.

Abstract

Experimentally hardly accessible Jahn-Teller inversions and the influence of heteroligands on the reactivity of Cu2+ are characterized by ab initio QM/MM MD simulations of Cu2+ ion and its amino complexes in water.

Cite this paper

@article{Schwenk2003TheIO, title={The influence of the Jahn-Teller effect and of heteroligands on the reactivity of Cu2+.}, author={Christian F. Schwenk and Bernd M. Rode}, journal={Chemical communications}, year={2003}, volume={11}, pages={1286-7} }