Gas-phase structure and conformations of malonyl difluoride (COF-CH2-COF) and difluoromalonyl difluoride (COF-CF2-COF). An electron diffraction and ab initio …

…, HG Mack, A Waterfeld, H Oberhammer

Index: Jin, Anding; Mack, Hans-Georg; Waterfeld, Alfred; Oberhammer, Heinz Journal of the American Chemical Society, 1991 , vol. 113, # 21 p. 7847 - 7852

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Citation Number: 25

Abstract

6. Conclusions From the dynamics modeling carried out in this work, we believe the following conclusions can be drawn.(1) It is possible to model several important aspects of ion transfer reactions of complicated, polyatomic substances in solution by three-body potential functions. Such functions can be parameterized by trial-and-error fitting to experimental results