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The accuracy of the derived formulae is checked for both local and global modes by comparison with the results of finite element computations.
The observed NR bands were assigned to Raman-active CC stretching vibrational modes by comparison with calculations based on density functional theory.
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The validity of the proposed methodology is demonstrated for different mode ratios by comparison with the corresponding analytical solutions.
Interpretation of the vibrational modes was facilitated by comparison of the absorption spectra of polyindole and those of related molecules acting as standards.
Infrared and Raman spectra for the widely used pharmacological probe 5 were determined, with analysis of vibrational modes being aided by comparison with the spectra of the [15N(O)15NO]− isotopomer and density functional theory calculations at the B3LYP/6-311++G** level.
The narrative-led campaign mode, meanwhile, is by comparison less dazzling.
SM was determined from the same mass spectrum as PC (precursors of m/z 184 in positive mode) [23] [24] and by comparison with PC internal standards using a molar response factor for SM (in comparison with PC) determined experimentally to be 0.39.
Figure 12 Number and percentage of articles by comparison modes.
The numerical results comprise load displacement curves, ultimate loads, stress strain curves and failure modes, which are validated by comparison with the experimental results.
The presented assignments of bands to the respective normal modes have been performed by comparison of our own results with published vibrational spectra of the respective standards molecule [ 35- 39].
One example of fast crack propagation at constant speed and under mixed-mode loading was examined by comparison to the other's numerical results using singular moving elements.
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