Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction

Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP) is a nascent protocol for predicting, solving, and refining crystal structures. QNMRX-CSP employs a combination of solid-state NMR data from quadrupolar nuclides ( , nuclear spin >1/2), static lattice energies and ele...

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Veröffentlicht in:	Faraday discussions 2025-01, Vol.255, p.88-118
Hauptverfasser:	Fleischer, 3rd, Carl H, Holmes, Sean T, Levin, Kirill, Veinberg, Stanislav L, Schurko, Robert W
Format:	Artikel
Sprache:	eng
Schlagworte:	Crystal lattices Crystal structure Crystallography Density functional theory Dosage Electric fields Ephedrine Lattice energy Mathematical analysis NMR Nuclear magnetic resonance Nuclear spin Nuclides Predictions Structural analysis Structural models Tensors Unit cell X ray powder diffraction
Online-Zugang:	Volltext
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