Sentence examples for energetic parameters from inspiring English sources

AMB99C was parameterized using structural and energetic parameters from density functional ab initio methodology.

This program is a method to estimate the energetic parameters of the studied systems.

The two approaches for obtaining energetic parameters yield different KMC-predicted polarization curves.

This observation implies that the combined influence of electronic couplings and energetic parameters, driving force and reorganization energy, on electron transfer dynamics is similar in both structures.

Energetic parameters for describing mechanical properties, which makes it possible to discuss deformation behavior of a film elastically and plastically, are presented.

We show that this potential gives structural, mechanical and energetic parameters which are in accordance with the previously reported ab initio results.

One of the parameters is a geometric (or entropic) parameter while the other is an energetic parameter (a net unlike molecular pair interaction energy).

During testing, thermal analyses are also performed by means of a thermal camera, obtaining an energetic parameter (i.e. the temperature) useful for the evaluation of damage.

We re-defined the metal sulfur (M S) bond strength as the cohesive energy per metal sulfur bond: we show that all experimental HDS activities (Pecoraro and Chianelli, 1981) fit nicely on a single volcano master curve when plotted against this simple energetic parameter.

Table 2 descriptors were calculated by both energetic parameter and orbital parameter methods.

The energetic parameter was normalized to a dry matter content of the corresponding film sample.