Sentence examples for calculation of reaction from inspiring English sources
Evans, M. G. & Polanyi, M. Some applications of the transition state method to the calculation of reaction velocities, especially in solution.
The explicit calculation of reaction energy barriers for the CO oxidation process then shows that these are sensitive to the composition of nanoalloys, where Au-rich clusters possess a high catalytic activity and the Au43Pd12 cluster is predicted to have the highest catalytic activity among the clusters here considered.
An empirical correlation for the calculation of reaction heat is proposed, in terms of C, H and O content in the waste, in order to determine the energy released in the oxidation reaction and to propose a suitable energy integration of the plant.
The calculation of reaction enthalpy and reaction entropy according to (5, 6) is carried out with data from Basu [21] and National Institute of Standards and Technology [22].
CoSets were identified via the calculation of reaction participation.
This calculation of reaction times, though, is somewhat more involved than in the case of a lattice gas.
Based on trends in density functional theory calculations of reaction intermediates we find that the single metal site in a porphyrine-like structure has a simple advantage of limiting the competing Hydrogen Evolution Reaction (HER).
The well-fitting calculations of reaction temperatures for both experiments, reveal a higher independence from reservoir rock composition as compared to classical solute geothermometers.
Consistent with the standard, all responses briefer than 100 ms or greater than 2500 ms were rejected for calculations of reaction time (RT).
Calculations of reaction free energy surfaces of charged flexible compounds in aqueous solution are associated with challenging difficulties.
Our method is not only able to predict the range of optimal adsorption energies, in agreement with reported values, but it also is very simple without the need of extensive calculations of reaction barriers and detailed kinetic analyses.
