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Cyeloaddition Reactions Between C30 and Huta- 1,3 -diene An ab initio Study | ||
Journal of Physical & Theoretical Chemistry | ||
مقاله 2، دوره 6، شماره 3، بهمن 2009، صفحه 11-14 اصل مقاله (59.45 K) | ||
نوع مقاله: Research Paper | ||
نویسندگان | ||
Seeid Abedini Khorrami* ؛ Shahram Moradi* ؛ Hajar Mohammadzadeh Bahar* | ||
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چکیده | ||
Cycloaddition reaction between C30 and hula-I, 3-diene was studied within the Snimework of AM I (RHF) level. The reaction involving the double bond between two hexagons and a hexagon and a pentagon, as well as the cycloaddition products followed by disrotatory ogs s electrocyclic ring openings were considered. Thermodynamics parameters and stability energy and innsation state are evaluated in three Valence isomers | ||
کلیدواژهها | ||
Nano structures of Fullerene, C30؛ AM1 calculations؛ Cycloadditions | ||
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