Organic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls
Zainab Rehman, Jairah Lubay, W. Trent Franks, Albert P. Bartók, Emily K. Corlett, Bao N. Nguyen, Garry Scrivens, Brian Samas, Heather Frericks-Schmidt, Steven P. Brown
Abstract
C chemical shifts in the two polymorphs of cellulose for which diffraction structures are available. For both case studies, a focus is on the discrepancy between experiment and GIPAW calculation.
Topics & Concepts
ChemistryNanotechnologyComputational chemistryMaterials scienceAdvanced NMR Techniques and ApplicationsNMR spectroscopy and applicationsMolecular spectroscopy and chirality