Descriptive statistics with Excel

Many of the significance tests and other procedures summarized in this article (and many others) are very readily performed with the aid of Microsoft Excel , Minitab , and other widely available programs. Such software also gives instant access to the most important descriptive statistics (mean, median, standard deviation, s.e.m., confidence limits, etc.). In practice, the major problems are therefore (1) accurate entry of the experimental data into the program (this problem may not arise if an analytical instrument is directly interfaced to a PC) and (2) choice of the appropriate test once data entry has been successfully completed. Guidance on the latter... 

Once the energy minima and the corresponding transition states have been located, then we obtain a potential energy profile from which we can extract the reaction energy (AE) and the energy barrier(s) (A ). It is important to remark that these potential energies are only valid for one molecule and not for an ensemble of molecules, as it is the case in a real reaction. Thus, if we want to calculate a thermodynamic property and compare its value with the experimental one, we have to use statistical thermodynamics in order to estimate this thermodynamic property for the whole ensemble of molecules. This is a lengthy process and thus, it will not be discussed here. However, if you have further interest in it, there are excellent books on statistical mechanics where you can find a detailed description of it [2 ]. 

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