Study on the product formation of the reaction between criegee compound and propargyl radical
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Mechanism of the reaction between Criegee compound (CH2OO) and Propargyl radical (C3H3) has been studied by using the density functional theory DFT/M06-2X in conjunction with the 6-311++G(3df,2p) basis set for both optimization and single-point energy calculations.
Nội dung trích xuất từ tài liệu:
Study on the product formation of the reaction between criegee compound and propargyl radical
Nội dung trích xuất từ tài liệu:
Study on the product formation of the reaction between criegee compound and propargyl radical
Tìm kiếm theo từ khóa liên quan:
Criegee compounds Propargyl radical Density functional theory Single-point energy calculations Radical generationGợi ý tài liệu liên quan:
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