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العنوان
Structure and Stability of Some Molecules from Main Group Elements /
الناشر
Safinaz Hamdy Mohamed El-Demerdash،
المؤلف
.El-Demerdash , Safinaz Hamdy Mohamed
الموضوع
chemistry Physical Chemistry
تاريخ النشر
2007 .
عدد الصفحات
700mg :
الفهرس
Only 14 pages are availabe for public view

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Abstract

In this thesis we have studied theoretically the structure and stability of Mg+2XH3OH complexes (X= C, Si and Ge) in gas phase and their possible fragmentation channels to gives the evidence for detecting complexes of Mg+2 dication with a single XH3OH molecule using density functional theory (DFT) and multilevel ab initio calculations.