Browsing Artykuły (WBiNoŻ) by Subject "struktura elektronowa harmanu"
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(Wydawnictwo Politechniki ŁódzkiejLodz University of Technology. Press, 2007)In this study the geometry optimization of harmane using the semi-empirical (AM1, PM3, MNDO,) ab initio HF as well as the B3LYP method was performed. The calculated geometrical parameters of harmane were compared with the ...