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Estimation of the heat of formation values for the fullerene diporphyrin complexes corroborates fairly well with the trend in the K values.
Semiempirical calculations at third parametric level of theory in vacuo evoke the single projection structures of the fullerene 2 complexes and interpret the stability difference between C60 and C70 complexes of 2 in terms of enthalpies of formation values.
Molecular mechanics calculations in vacuo evoke the stereoscopic structures of the fullerene/1 complexes and interpret the stability difference between C60 and C70 complexes of 1 in terms of heat of formation values.
Molecular mechanics calculations at force field model in vacuo evoke the single projection geometric structures of various fullerene/1 complexes and interpret their stability differences in terms of heat of formation values.
Semiempirical PM3 calculations in vacuo establish the single projection structures for the fullerene 1 complexes and well interpret the stability difference between C60- and C70-complexes of 1 in terms of heat of formation values of the respective complexes.
The determined enthalpy data plus the estimated positive entropy of formation values point to the thermodynamic stability of the amorphous ceramics relative to the crystalline phases, but such stabilization diminishes with increasing boron content.
Similar(42)
This value, coupled with the standard enthalpy of formation value determined from the calorimetric data, was then used to calculate the standard entropy of formation, − 2926.49 ± 45.64 J/mol.
Formation value factor, bbl/stb.
We track them because of their high levels of new company formation, value creation and exits.
In contrast, this behavior is not observed for the C-rich phase, which maintains an almost constant energy formation value irrespective of the oxygen ratio at the surface.
In addition to qualitatively predict the trend of the biofilm formation, 75% of the model-predicted biofilm formation value falls within or close to the error bar of the experimental value.
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