@article {2001|1520, title = {Lanthanide cation binding to a phosphoryl-calix{[}4]arene: the importance of solvent and counterions investigated by molecular dynamics and quantum mechanical simulations}, journal = {Phys. Chem. Chem. Phys.}, volume = {3}, number = {7}, year = {2001}, pages = {1317{\textendash}1325}, author = {Marc Baaden and Burgard, M and Boehme, C and Wipff, G} } @article {2000|1460, title = {Interaction of trivalent lanthanide cations with phosphoryl derivatives, amide, anisole, pyridine and triazine ligands: a quantum mechanics study}, journal = {J. Alloys Compd.}, volume = {303}, year = {2000}, note = {22nd Rare Earth Research Conference, ARGONNE, ILLINOIS, JUL 11-15, 1999}, month = {may}, pages = {104{\textendash}111}, author = {Marc Baaden and Berny, F and Boehme, C and Muzet, N and Schurhammer, R and Wipff, G} }