AS INITIOINVESTIGATIONOF 12-CROWN-4 AND SENZO-12-CROWN-4 COMPLEXES WITH U+, Na+, K+,Zn2+,Cd2+,AND Hg2+
ABSTRACT The structure and binding energies of 12-cr0wn-4 and benzo-12-cr0wn-4 complexes with Lt, Na+, K, Zn2+, ccf+, and Hrr were investigated with ab initio ca1culalions using Hartree-Fock approximation and second-order perturbation theory. The basis set used in this study is lanl2mb. The structur...
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[Yogyakarta] : Universitas Gadjah Mada
2009
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