Sentence examples for mol is reached from inspiring English sources

The geometrical optimization and single-point energy calculations are carried out with the Fletcher Reeves conjugate gradient method until root-mean-square gradient of 0.1 kcal/Å mol is reached (the CFE is also corrected on H atoms terminated outer Ch atoms).

The working capacity of the adsorbent is reduced due to incomplete regeneration during cyclic operation, although it stabilizes at 0.5 mol CO2 kg-1 and 0.4 mol H2O kg-1 once cyclic steady state is reached.

In all LUVs, from 0 to 25 mol % of cholesterol, IE/ I3 values are comparable but when the full lo phase is reached, an increase is observed.

The energy of 65 kJ/mol is reached within 3.5 s.

Energy of prepared systems for MD simulations was minimized up to maximum 5000 steps using steepest descent method until a gradient threshold (25 kcal/mol/Å) is reached, followed by L-BFGS (Low-memory Broyden-Fletcher-Goldfarb-Shanno quasi-Newtonian minimizer) until a convergence threshold of 1 kcal/mol/Å was met.

In order to investigate the effects of various agents on phenylephrine hydrochloride (PE -induced contraction, when a steady contraction induced by PE -inducedl/L) was reacontractionus agents (3 × 10−4 mol/L) whenadded to the organ bath.

The maximum 53 mol% selectivity to 4-tert-butylcatechol (4-tert-butylphenol conversion 42 mol%) was reached at the temperature of 50 °C for 60 min reaction time in the presence of 15 wt% of the mesoporous titanosilicate containing 1.9 wt% of Ti.

By combining the new silver vanadates with conventional V2O5/TiO2 catalysts, a PA yield of more than 84 mol% could be reached.

This indicates that the development of a two stage system, combining an artificial co-culture composed of Clostridium spp. with a photosynthetic H2-producing bacterium, could additionally increase the final H2 yield over the theoretical maximum of 4 mol H2/ mol glucose that can be reached by clostridia.

Under optimized conditions (48 h reaction at 40 ̊C, with a molar ratio of 2 1 M/TAG) the highest incorporation was reached for C8 0 (25.6 mol%) and C10 0 (21.3 mol%).

Since the propionate/acetate-ratio was in no experiment 2 mol mol -1, the maximal propionate/glucose-yield could not be reached.