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To calculate the dominant time constant from static design calculations, two different methods are discussed: the retention time and the "change of inventory" time method.
In LES calculations, two subgrid-scale (SS) models, a Smagorinsky SS model and a filtered dynamic SS model, were used.
For steady state calculations, two particular TVD schemes have proved popular, i.e., the Yee symmetric and the Osher-Chakravarthy upwind TVD schemes.
For LES calculations, two sub-grid scale (SGS) models are considered: (a) RAST one-equation model (OEM) (b) dynamic Smagorinsky model (DSM) while the SST-SAS and delayed detached eddy simulation (DDES) methods are the variants of a hybrid-type RANS-LES approach.
On the basis of DFT calculations, two competitive mechanisms are proposed: one of them involving a proton transfer from the α-position of the alkoxo ligand to an oxygen atom of the vicinal WO group; the other corresponding to a hydride transfer mechanism from the α-position of the alkoxo ligand to the geminate tungsten center.
On the basis of density calculations two monomers of the tetrameric protein are estimated to be present in the asymmetric unit (V(m) = 2.99 A(3) Da -l)).
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Wal-Mart's lawyers filed twenty pretrial motions and responses, and spent, by OSHA's calculations, two million dollars fighting the citation.
For CoMFA calculations, three different fitting methods for alignment process were investigated.
On the basis of the performed calculations four modifications of the fume hood design were proposed and numerically analyzed.
Arising from the results of theoretical calculations, three mutants were prepared by site-directed mutagenesis and characterized by fluorescence analysis.
Guided by thermodynamic calculations, six critically selected alloys were arc melted and annealed at 1600 °C for 150 h.
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