Sentence examples for calculations study from inspiring English sources

The nature of vanadium species in V substituted zeolites is determined by combined experimental (XRD, FTIR, DR UV vis) and theoretical (periodic DFT calculations) study.

Here we present the combined experimental and first-principles calculations study on both doped and undoped VO2(B) thin films enabling us to attain high TCR (−3.9%/k) and suitable square-resistance (32.7 kΩ) by controlled W doping employing the widely used magnetron sputtering technique.

Accurate full-dimensional quantum state-resolved calculations studying reactions of methane currently rely on the multi-configurational time-dependent Hartree (MCTDH) approach and curvilinear coordinate systems.

1H NMR and DFT calculations studies confirm that the F− ion facilitates its recognition due to the formation of NH⋯F hydrogen bond and subsequent deprotonation as designed.

1H NMR and DFT calculations studies confirm that the recognition towards F− is due to the formation of an NH⋯F hydrogen bond and subsequent deprotonation.

The analytical and calculation study results are presented in the paper, engineering solutions are proposed.

A nanoindentation and first-principles calculation study of a self-organizing nanostructured lamellar (Ti,Zr)C powder has been performed.

In addition, to deeper understand its electrochemical behavior, a combined experimental and density functional theoretical (DFT) calculation study is also introduced.

The preliminary field calculation study by the FDTD method verifies both the circuit analysis method for the current distribution and the PEDPR method for the radiation field strength.

Based on a time study and schedule calculation study, the pharmacist spent on average 65 min/patient (assumption; SD=20% of mean) for the medication review process in the intervention arm.

In the calculation studies, the geometric parameters of the NPs were taken from typical SEM and TEM images, and uniform native oxide layers were considered.