Chemistry - A European Journal · 2012 · 67 citations · 41 references
The multifunctional behavior of two mononuclear lanthanide compounds attached to a curcuminoid called 9 Accm has been investigated. The results show that [Dy(9 Accm)(2)(NO(3))(dmf)(2)] Yb(9 Accm)(3)(py)] behaves as a single-ion magnet and that both compounds display luminescent responses and exhibit affinity for graphite surfaces (see figure).
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G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 9.9K citations
Engineering, Chemical Analysis, Theoretical Inorganic Chemistry +17
Towards an order- N DFT method
Célia Fonseca Guerra, J. G. Snijders, G. te Velde et al. · Theoretical Chemistry Accounts · 1998 · 2.7K citations
Célia Fonseca Guerra, J. G. Snijders, G. te Velde et al. · Theoretical Chemistry Accounts · 1998 · 1.5K citations · Full text