Sentence examples for molecular structure elucidation from inspiring English sources
Authors: Elyashberg, Mikhail E., Williams, Antony J. Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator.
Contemporary Computer-Assisted Approaches to Molecular Structure Elucidation (New Developments in NMR) by Mikhail E Elyashberg, Antony Williams and Kirill Blinov.
Since fully-automated solutions are uncommon it was necessary to develop interactive methods for computer-assisted molecular structure elucidation taking into account the properties of 2D NMR information.
Using the example of this system we will consider the methodology of molecular structure elucidation from 2D NMR spectra with the use of computer-assisted methods.
The results obtained during this period have been reviewed [11 13], and the general methodology of expert systems as tools for molecular structure elucidation have been reviewed by Elyashberg, et al. [14].
Nevertheless, MS usually can deliver the molecular mass and, with improved resolution and accuracy in recent years it is now fairly simple to determine the molecular formula for the molecule under study, a key parameter necessary for molecular structure elucidation.
Molecular structure elucidations and the electrochemical assessment of laccases have resulted in three classifications, namely: high, medium, and low redox potential laccases (Mot and Silaghi-Dumitrescu 2012; Mate and Alcalde 2015).
This allows us, in principle, to elucidate the molecular structure as though the elucidation were performed ab initio without the use of spectrum-structure correlations.
The same film was used for structure elucidation and molecular weight determination of the neat polyamide.
In the DP algorithm [20] for structure elucidation, the molecular weights (mass) has to be converted to a value of integers format multiplied by 10 D. The converted value of mass will lead to no loss of significant digits in the DP algorithm.
The WeNMR portal [ 18] can be used for molecular simulations for NMR-based structure elucidation.
