Conformational Analysis of Fungicidal MOA Compounds:Ab initio and Semi-empirical Studies on the Relationship between Activity and Torsional Energy

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The torsional energies at 0? for 1 and 2 are predicted to be 13-18 kcal/mol by HF/6-31 G,and their energy profiles are shown by similar shapes with AMl and B3LYP/6-31G methods

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