Computational Organic Chemistry
نویسندگان
چکیده
منابع مشابه
A Computational Study on the Stability of Dapdiamide D Conformers
The conformational analysis of the organic compounds specially the biologically active natural products has attracted the consideration of different research groups. Therefore, in the present study the MP2/6-311+g(d,p)//B3LYP/6-311+g(d,p) level of theory was used to study the conformations of dapdiamide D. The identity of interactions in selected conformers was studied using atom in molecule ap...
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On the basis of experimental data a kinetic model for the heterogeneous interaction between alkylperoxyradicals and organic compounds in Langmuir- Hinshelwood approach at room temperature has been offered.The effect of oxygen on the kinetics of process in the presence, [O2]o = 1 x 1011 – 1.6 x 1012 molecules.cm-2, and absence of oxygen has been analyzed. Over time the chain degenerate branching...
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تاریخ انتشار 2011