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The current study deals with host-guest complex formation between cucurbit  urils as host and lansoprazole as guesti using PM3 (semi empirical molecules orbital calculations) also DFT calculations. In this complex, the formation of hydrogen bonding may be occurred through portal oxygen atoms(O2) of cucurbit  urils and amine groups (NH 2 )of the drug. The energies of HOMO and LUMO orbital’s have been computed for the host guest complex and its components. The result of the stabilization energy explained a complex formation.
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How to Cite
Journal BS. The formation, structure, and electronic properties of Lansoprazol drug and cucurbit urils complex (Theoretical Study). BSJ [Internet]. 5Jun.2016 [cited 5Aug.2020];13(2.2NCC):0034. Available from: http://bsj.uobaghdad.edu.iq/index.php/BSJ/article/view/2748
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