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A theoretical density functional study of association of Zn2+ with oxazolidine and its thio derivatives in the gas phase

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Al-Azhar University – Gaza
Safi Z.S.; Lamsabhi A.M.
Safi, Zaki S. (16199979600); Lamsabhi, Al Mokhtar (6602999857)
16199979600; 6602999857
2010
Journal of Physical Organic Chemistry
A theoretical density functional study of association of Zn2+ with oxazolidine and its thio derivatives in the gas phase
23
8
751
758
Department of Chemistry, Faculty of Science, Al-Azhar University of Gaza, Gaza, Palestine; Departamento de Química C-9, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, E-28049 Madrid, Spain
Safi Z.S., Department of Chemistry, Faculty of Science, Al-Azhar University of Gaza, Gaza, Palestine; Lamsabhi A.M., Departamento de Química C-9, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, E-28049 Madrid, Spain
A. M. Lamsabhi; Departamento de Química C-9, Facultad de Ciencias, Universidad Autónoma de Madrid, Cantoblanco, E-28049 Madrid, Spain; email: mokhtar.lamsabhi@uam.es
6
10.1002/poc.1648
Basicity; Complexation; DFT; Dication; Transition metal
Binding energy; Complexation; Gases; Oxygen; Zinc; [carbonyl; Catalytic effects; Density functional theory calculations; DFT; Dications; Gasphase; Heteroatoms; Nitrogen atom; Oxazolidines; Resonance effect; Stable complexes; Stable species; Tautomerization process; Tautomerizations; Theoretical density; Thiocarbonyl; Density functional theory