The reactions of ethylene with silane, chlorosilane, fluorosilane, and dichlorosilane, and of propylene with silane are considered using ab initio electronic structure calculations. At both the MP2 and MP4 levels of theory with both DZP and TZP quality basis sets, the energy barriers for all reactions are found to be in excess of 50 kcal/mol.
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Indian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, India
Indian Assoc Cultivat Sci, Dept Organ Chem, Kolkata 700032, IndiaIndian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, India
Paladhi, Sushovan
Chauhan, Ajay
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Indian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, IndiaIndian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, India
Chauhan, Ajay
Dhara, Kalyan
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Indian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, IndiaIndian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, India
Dhara, Kalyan
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Tiwari, Ashwani Kumar
Dash, Jyotirmayee
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Indian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, India
Indian Assoc Cultivat Sci, Dept Organ Chem, Kolkata 700032, IndiaIndian Inst Sci Educ & Res Kolkata, Dept Chem Sci, Mohanpur 741252, W Bengal, India
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Kunming Univ Sci & Technol, Fac Chem Engn, Kunming, Peoples R China
Kunming Univ Sci & Technol, Fac Chem Engn, Kunming 650500, Peoples R ChinaKunming Univ Sci & Technol, Fac Chem Engn, Kunming, Peoples R China
Peng, Jian
Yang, Zhen
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Kunming Univ Sci & Technol, Fac Chem Engn, Kunming, Peoples R ChinaKunming Univ Sci & Technol, Fac Chem Engn, Kunming, Peoples R China
Yang, Zhen
Lian, Peichao
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Kunming Univ Sci & Technol, Fac Chem Engn, Kunming, Peoples R ChinaKunming Univ Sci & Technol, Fac Chem Engn, Kunming, Peoples R China
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Tokyo Univ Sci, Dept Ind Chem, 1-3 Kagurazaka,Shijuku Ku, Tokyo 1628601, JapanTokyo Univ Sci, Dept Ind Chem, 1-3 Kagurazaka,Shijuku Ku, Tokyo 1628601, Japan
Murakami, Yuya
Shono, Atsushi
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Tokyo Univ Sci, Dept Ind Chem, 1-3 Kagurazaka,Shijuku Ku, Tokyo 1628601, JapanTokyo Univ Sci, Dept Ind Chem, 1-3 Kagurazaka,Shijuku Ku, Tokyo 1628601, Japan