Abstract
The Shannon entropies along the intrinsic reaction coordinates (IRC) of two SN2 reactions were calculated at the RHF/6-31++G** level. The resulting entropic profiles were compared with the corresponding energy profiles. The Shannon entropy profiles in position and momentum space, as well as their sum, show interesting features about the bond forming and breaking process that are not apparent from the conventional reaction energy profile. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 77: 376–382, 2000
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