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synthesis, physico-chemical, hirschfield surface and dft/b3lyp calculation of two new hexahydropyrimidine heterocyclic compounds
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نویسنده
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warad ismail ,al-nuri mohammed ,ali oraib ,abu-reidah ibrahim m. ,barakat assem ,ben hadda taibi ,zarrouk abdelkader ,radi smaail ,touzani rachid ,hicham elmsellem
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منبع
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iranian journal of chemistry and chemical engineering - 2019 - دوره : 38 - شماره : 4 - صفحه:59 -68
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چکیده
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Two new hexahydropyrimidine compounds were prepared in high yield by condensation of an equimolar amount of 1,3-diamine with 2-dipyridylketone at room temperature in dichloromethane. the desired hexahydropyrimidine structures were confirmed on the basis of their uv-visible, elemental analysis, ft-ir, 1h-nmr, tg/dtg and ei-ms data. hirschfield and dft/b3lyp theoretical analyses were performed and their output results were compared to experimental data.
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کلیدواژه
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hexahydropyrimidine; hirschfield surface; nmr; dft
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آدرس
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an-najah national university, department of chemistry, palestine, an-najah national university, department of chemistry, jordan, an-najah national university, department of chemistry, jordan, arab american university, faculty of sciences, industrial chemistry department, palestine, king saud university, college of science, department of chemistry, saudi arabia, université mohammed 1er, laboratoire chimie matériaux, morocco, mohammed v university, faculty of sciences, laboratory of materials, nanotechnology, and environment, morocco, université mohammed premier, faculté des sciences d’oujda, morocco, université mohammed premier, faculté des sciences d’oujda, morocco, université mohammed premier, faculté des sciences d’oujda, morocco
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پست الکترونیکی
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h.elmsellem@gmail.com
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Authors
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