Offensive 发表于 2025-4-1 05:26:23
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Triplet Oxiranes : Application of Quantum Mechanical Methods to the Study of the Reactions of Triplnergies of the critical points (minima, saddle points and maxima). The overall stereochemical finding was that MO1,MO2, and MO3 possess rather flexible structures. For acetone and propionaldehyde, the barriers to inversion at the carbonyl group are 2.7 and 4.2 kcal/mol, respectively.Missile 发表于 2025-4-1 12:24:43
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Development of a Computational Strategy in Electronic Structure Calculations: Error Analysis in Coniability in a given application. In all but the simplest of cases an exact treatment is not possible, or at least is not economically feasible, and as a result it is imperative that certain approximations be introduced. The difficulties attendant upon such procedures thus lie not only in providing tPantry 发表于 2025-4-1 23:24:23
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