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theoretical studies of interaction of small cobalt clusters with oxygen, hydrogen and ethylene
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نویسنده
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dehghanpisheh elham ,haidar pakiari ali
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منبع
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بيست و سومين كنفرانس شيمي فيزيك انجمن شيمي ايران - 1400 - دوره : 23 - بیست و سومین کنفرانس شیمی فیزیک انجمن شیمی ایران - کد همایش: 00210-50174 - صفحه:0 -0
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چکیده
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In this study, after calibration of dft and selecting the best xc-functional, to evaluate the active sites of small cobalt clusters (con, n =2 - 4) which had been reported before, the interactions of small cobalt clusters with oxygen (o2), hydrogen (h2) and ethylene (c2h4) have been investigated. the results show the complete consistency of experiments, pure active sites, and our results.
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کلیدواژه
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calibration of dft; interaction of small cobalt clusters; oxygen; hydrogen; ethylene
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آدرس
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, iran, , iran
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Authors
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