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    • The theoretical study on the molecular structure and electronic properties of harmane 

      Kowalska, Agnieszka; Stobiecka, Agnieszka (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 ...