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Incremental binding energy

Table 5.20. Cooperative (n-dependent) properties of linear formamide chains (see Figs. 5.19 and 5.27), showing the incremental binding energy AEn, average H-bonded Ron and Rmi distances, and partial charges Q and Qn on terminal monomers of the (H2NCHO) chain (for comparison, the cyclic pentamer in Fig. 5.27(c) has Ro u = 1.879 A, Rm = 1-024 A, and average H-bond energy 7.92 heal mol x)... Table 5.20. Cooperative (n-dependent) properties of linear formamide chains (see Figs. 5.19 and 5.27), showing the incremental binding energy AEn, average H-bonded Ron and Rmi distances, and partial charges Q and Qn on terminal monomers of the (H2NCHO) chain (for comparison, the cyclic pentamer in Fig. 5.27(c) has Ro u = 1.879 A, Rm = 1-024 A, and average H-bond energy 7.92 heal mol x)...
The first structure which turns out to be the more stable one shows a smaller incremental binding energy and a larger Li-0 distance than was found in Li+ OH2. This has to be expected since the water-water dipolar interaction is repulsive and polarization of the Li+ ion is reduced. [Pg.77]

Apical position 260 Apoe nzyme 458 Apparent binding energies 428 relationship with incremental binding energies 435 Apparent equilibrium constants 109, 110... [Pg.320]

The strength of the water-solute interaction cannot be assessed from the incremental binding energies since these also include the water-water interaction... [Pg.282]

Table 10.4 Counterpoise corrected MP2 incremental binding energies (kcal/mol) of the minimum-energy HgC10H-(H20) structures with different basis sets, aug-RECP(Hg,Cl) valence basis for Hg and Cl used throughout... Table 10.4 Counterpoise corrected MP2 incremental binding energies (kcal/mol) of the minimum-energy HgC10H-(H20) structures with different basis sets, aug-RECP(Hg,Cl) valence basis for Hg and Cl used throughout...
Table 4.24. Bond lengths Rwc, angles 6Cwc, and incremental CO binding energies A/ (+CO) for a and cu bonds o/W(CO) complexes (see Fig. 4.36)... Table 4.24. Bond lengths Rwc, angles 6Cwc, and incremental CO binding energies A/ (+CO) for a and cu bonds o/W(CO) complexes (see Fig. 4.36)...
Table 4.32. Average bond lengths ptF, incremental F binding energies A E(+F ), and platinum atomic charge Qnfor PtF (6 ")+ complexes (see Fig. 4.49)... Table 4.32. Average bond lengths ptF, incremental F binding energies A E(+F ), and platinum atomic charge Qnfor PtF (6 ")+ complexes (see Fig. 4.49)...
Figure 4.103 Incremental CO binding energies, Eq. (4.129), for M(CO) complexes of group 6 metals Cr (circles), Mo (squares), and W (triangles). For n = 3, the quantity plotted is the average energy of dissociating all three carbonyls from M(CO)3. Figure 4.103 Incremental CO binding energies, Eq. (4.129), for M(CO) complexes of group 6 metals Cr (circles), Mo (squares), and W (triangles). For n = 3, the quantity plotted is the average energy of dissociating all three carbonyls from M(CO)3.
Estimation of increments in binding energy from kinetics... [Pg.181]

G. Relationship between apparent binding energies from difference energies and incremental binding energies1119... [Pg.555]


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See also in sourсe #XX -- [ Pg.335 ]




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