百度作业网英语翻译the host through multiple CH-π hydrogen bonds and medium
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英语翻译
the host through multiple CH-π hydrogen bonds and mediumrange dispersion-like interactions.We have shown20 that most of the previous functionals are problematic for describing this kind of noncovalent interactions.The ability of the new-generation M06-2X functional and its prototype,the M05-2X functional,to treat medium-range correlation energy and its effect on nonbonded interactions quantitatively18,20,21,26-30 open a new practical avenue for obtaining detailed information about and understanding of
supramolecular chemistry.
Table 1 shows that the binding energy for the C60@[6]CPPA complex is much greater than that of HMB@[6]CPPA.This is also in agreement with the experiments of Kawase et al.10,11 To understand the nature of the difference,we plotted in Figure 2 the supramolecular electrostatic potential calculated at the M06-2X/6-31+G(d,p) level.Figure 2 shows that there is an overlap of electron density between C60 and [6]CPPA,but no significant overlap occurs for HMB@[6]CPPA.
其中的数字如20 18,20,21,26-30 10,11 不用翻译
the host through multiple CH-π hydrogen bonds and mediumrange dispersion-like interactions.We have shown20 that most of the previous functionals are problematic for describing this kind of noncovalent interactions.The ability of the new-generation M06-2X functional and its prototype,the M05-2X functional,to treat medium-range correlation energy and its effect on nonbonded interactions quantitatively18,20,21,26-30 open a new practical avenue for obtaining detailed information about and understanding of
supramolecular chemistry.
Table 1 shows that the binding energy for the C60@[6]CPPA complex is much greater than that of HMB@[6]CPPA.This is also in agreement with the experiments of Kawase et al.10,11 To understand the nature of the difference,we plotted in Figure 2 the supramolecular electrostatic potential calculated at the M06-2X/6-31+G(d,p) level.Figure 2 shows that there is an overlap of electron density between C60 and [6]CPPA,but no significant overlap occurs for HMB@[6]CPPA.
其中的数字如20 18,20,21,26-30 10,11 不用翻译
这种专业翻译是超难的.另外,开头第一句不完整…the host through multiple CH-π hydrogen bonds and medium range dispersion-like interactions.We have shown20 that most of the previous functionals are probl...
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