AB INITIO INVESTIGATION OF 12-CROWN-4 AND BENZO-12-CROWN-4 COMPLEXES WITH Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, Zn<sup>2+</sup>, Cd<sup>2+</sup>, AND Hg<sup>2+</sup>
The structure and binding energies of 12-crown-4 and benzo-12-crown-4 complexes with Li+, Na+, K+, Zn2+, Cd2+, and Hg2+were investigated with ab initio calculations using Hartree-Fock approximation and second-order perturbation theory. The basis set used in this study is lanl2mb. The structure optim...
Main Authors: | Yahmin Yahmin, Harno Dwi Pranowo, Ria Armunanto |
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Format: | Article |
Language: | English |
Published: |
Universitas Gadjah Mada
2010-06-01
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Series: | Indonesian Journal of Chemistry |
Online Access: | https://jurnal.ugm.ac.id/ijc/article/view/21488 |
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