Fluorin subfield placement.a thEretical study
Publish place: 20th Iranian Conference on the Chemistry of Physics
Publish Year: 1396
نوع سند: مقاله کنفرانسی
زبان: English
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شناسه ملی سند علمی:
ISPTC20_149
تاریخ نمایه سازی: 2 تیر 1397
Abstract:
Replacing the fluoride c5 and c6 istaead of hydrogen using the theoretical level of Hf tand B3LYP with the baselevel 6-311++G** it has been investigated and parameters such as dipolemomentum, vibrating freq encieshighest homo molecular orbital and Lomo largest molecular orbital occupied. Fluorin as a substitute forhydrogen causesa change in the length of the transplant.
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Authors
Hossein Shirani Beigi
Department of chemistry /nazhand highe veducation instiutei, Urmia ۵۷۷۹۸۸۳۸۹۶ iran
Sepideh Bibak
Department of chemistry /nazhand highe veducation instiutei, Urmia ۵۷۷۹۸۸۳۸۹۶ iran