Sentence examples for optimisation calculation from inspiring English sources
The thickness-specific 64Cu yield (μCi/ μA×μm)) was introduced into the optimisation calculation with respect to cost-effective target utilisation.
A constrained optimisation calculation is then used to determine the point lying on the sphere's surface that minimises the mean-squared distance from the microtubule crossings.
The MS2L optimisation approach is based on the polar formalism to describe the macroscopic behaviour of the composites and on a special genetic algorithm to perform optimisation calculations.
The storage operation design process must also take various uncertainties into account, which result in adding computational overheads to the optimisation calculations.
Computer software designed to implement the optimisation calculations is described and shown to produce reasonable results, leading to a potentially dramatic improvement in profitability.
Optimisation calculations show that the W AlON cermet solar coatings with two and three cermet layers have nearly identical solar absorptance, emittance and photo-thermal conversion efficiency that are much better than those for films with one cermet layer.
The test results giving loading pattern (LP) scenarios obtained from single and multi-cycle optimisation calculations applied to realistic reactor states of the Hartlepool and Hinkley Point B reactors are discussed.
Geometry optimisation calculations of the lowest-lying triplet states: It was observed that complex 2 reacted with 5′-GMP and DNA faster than complex 1 upon irradiation with blue light.
Since population of triplet states can be also responsible for the photochemistry, we performed geometry optimisation calculations of the lowest-lying triplet states for 1, 2 and 9. Interestingly, upon intersystem crossing and triplet formation all complexes display a distorted geometry where the two Pt azido bonds are significantly lengthened.
To estimate the effect of the crystal environment on the absorption spectrum, molecular geometry optimisations and calculations of the first excite states were repeated using the COSMO solvation model [13] using an effective medium with a refractive index of 75 and a dielectric constant of 3.0 which is representative of an organic molecular crystalline environment [14].
Grimme's B3LYP-D3 BJ) functional[ 21] and the 6-31G d, p) basis set[ 22] were used for geometry optimisation and ZPE calculation, with final energies calculated using the TZVPP basis set.[ 23] Using these constraints, transition structures for both the formal [2+2] cycloaddition and α-chlorination reactions from methyl-2-methylphenylketene and iso-propylphenylketene were located.
