Browsing by Subject "HARTREE-FOCK TYPE"
Now showing items 1-2 of 2
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(ELSEVIER, 2008-03-11)A humic acid (HA) extracted from lignite was successfully used in surface-enhanced Raman scattering SERS experiments as molecular occlusion assembler deposited onto a Ag colloidal surface to detect the polycyclic aromatic ...
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(SOCIEDAD CHILENA DE QUIMICA, 2006-12)Two medium-sized molecular systems X-60 (X=C,N) were analyzed using Extended Huckel, Density Functional and ab initio Hartree-Fock methods. The aim of the work was to test the reliability of the EHT methodology to calculate ...