Basin enumeration function isobaric

The basin enumeration function o () can be obtained from experimental thermodynamic data. Because experiments are commonly done at constant pressure, Eqs. (13), (15), (16), and (50) must be recast in terms of the isobaric. 

Figure 13 shows the isobaric basin enumeration functions for 1-propanol and 3-methylpentane, at various pressures in the range 0-2 kbar. Figure 14 shows the corresponding excitation profiles. Figure 15 illustrates schematically the sahent characteristics of the isobaric basin enumeration function. 

Fig. 13. Isobaric basin enumeration functions for 1-propanol (a) and 3-methylpentane (b) at different pressures. The x axis gives the difference between inherent structure and crystalline potential enthalpies. Calculations performed according to Eqs. (55) and (56), using the experimental heat capacity data of Takahara et al. (1994). (From Lewis, 2000.)...

Fig. 15. Schematic isobaric basin enumeration function. Also shown is the graphical construction that yields a and Ai/r at each temperature. See also Eqs. (50) and (57). (From Lewis, 2000.)...

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