Sentence examples for molecular structure determination from inspiring English sources

Nevertheless, single crystal and powder X-ray diffraction (PXRD) studies in conjunction with infrared (IR), Raman, high-resolution solid-state nuclear magnetic resonance and UV/Vis absorption spectroscopies as well as but to a lesser extent, magnetic susceptibility and photoluminescence studies have allowed some advances in molecular structure determination [10, 18, 61, 63].

70 eV EI mass spectrometry is a widely accepted technique for molecular structure determination.

Alignment of molecules with respect to an applied magnetic field is well-known in the solution NMR of biomolecules, where it is used to assist molecular structure determination.

It may be more appropriate to consider an 'ideally imperfect' single crystal used for molecular structure determination to consist of defects giving rise to localized diffuse scattering.

This is a very important technique for the identification of material phases and their quantitative proportion, microstructure evaluation and molecular structure determination.

The increasing demands of the pharmaceutical industry for rapid molecular structure determination of pharmaceutical solids have prompted the development of joint analysis methods spanning X-ray diffraction, C CP/MAS NMR and molecular modeling.

Molecular structure determinations show an anti-arrangement of the {MCp*} moieties relative to the bridging dicarbene ligand.

Computational methods have enormously increased the rational approach to drug design in recent years, building on the molecular structure determinations of previous decades (a process still ongoing for membrane proteins such as receptors).

Single-crystal X-ray molecular structure determinations show that both compounds have similar three-dimensional molecular structures; however, PDBS crystals are thin platelets and FPDBS crystals form hexagonal tube-like structures that are predominately hollow at one end.

This lattice may have applications as a molecular scaffold for structure determination of guest molecules, as a molecular sieve, or in the assembly of molecular electronics.

Knowledge of these properties, however, yields only superficial clues about a compound's molecular structure, and the determination of that structure was a complicated process (for large molecules at least) that involved careful analysis of several reaction pathways.