Sentence examples for mechanical calculations applied from inspiring English sources
New dynamic aspects of the catalysis of methanol oxidation reaction (MOR) have been studied using quantum mechanical calculations applied to the support catalyst cluster interactions and surface diffusivity of adsorbed intermediates.
The calculations applying this potential were earlier used to simulate the structure and mechanical properties of carbyne chains of different length containing even and odd number of atoms [5].
But comparable calculations apply to other politicians.
Quantum mechanical calculations had been previously applied to predict phase stability in many ternary and multinary nitride systems.
Eq. 3 summarizes the demand calculation applied.
For one thing, he said, that former theory was framed in terms of numerical mechanical calculations, and many physicists doubted that it applied to natural systems.
Dr. Wolfram says, "It is completely not". For one thing, he said, that former theory was framed in terms of numerical mechanical calculations, and many physicists doubted that it applied to natural systems.
Herein, density functional theory (DFT), classical lattice dynamics (CLD), and quantum mechanical calculations based on frontier molecular orbital (FMO) theory were applied to elucidate the interactions of ENPs and NOMs.
Quantum mechanical/molecular mechanical (QM/MM) calculations were applied to investigate the local defects at CUSs in HKUST-1 doped with PyDC.[ 24] The studies confirmed a significant modification of the proximate coordination space and a simultaneous change in the electronic properties of the MOFs upon incorporation of PyDC.
We describe the systematic use of coupled quantum and statistical mechanical calculations to design materials with precisely controlled charge perturbation and charge transport (under the influence of applied electric fields) critical to the realization of desired photonic and electronic properties.
The minimum energy conformer of compound 9 as determined by quantum mechanical calculations.
