Publications and Scientific Activities

2021

1. Quadrupolar SSNMR Spectroscopy of Pharmaceuticals and Nutraceuticals Holmes, S.T. Peach, A.A.; Vojvodin, C.S.; Hook, J.M.; and Schurko, R.W. 62nd Experimental NMR Conference Mar. 29-31 (2021)
2. A Crystal Structure Prediction Method Based on Solid-State NMR of Quadrupolar Nuclei Peach, A.A.; Fleischer III, C.H.; Levin, K.; Holmes, S.T.; and Schurko, R.W. Small Molecule NMR (SMASH) Conference, Virtual Conference Florida, United States Aug. 30-Sep. 2 (2021)
3. Crystal Structure Prediction Using 35Cl Electric Field Gradient Tensors Fleischer III, C.H.; Peach, A.A.; Levin, K.; Holmes, S.T. and Schurko, R.W. 49th Southeastern Magnetic Resonance Conference (SEMRC), Virtual Conference Florida, United States Oct. 22-24 (2021)

2019

1. In Situ Characterization of Waters of Hydration in a Variable-Hydrate Active Pharmaceutical Ingredient using 35Cl Solid-State NMR and X-ray Diffraction Hirsh, D.A.; Holmes, S.T.; Chakravarty, P.; Peach, A.A.; DiPasquale, A.; Nagapudi, K.; Schurko, R. Crystal Growth and Design, 12, 7349-7362 (2019)
2. Solid-state NMR investigations of active pharmaceutical ingredients and multi-component crystals formed by mechanochemical syntheses Holmes, S.T., Peach, A.A., Vojvodin, C.S., Abdulla, L.M., and Schurko, R.W. Eastern Analytical Symposium and Exposition Nov. 18–20, 2019 Princeton, New Jersey, United States Nov. 18–20 (2019)
3. Mechanochemical Synthesis of HCl API Multi-Component Crystals and their Structural Refinement and Elucidation Using 35Cl SSNMR and Dispersion-Corrected DFT Calculations. Peach, A.A.; Purdie, J.P.; Holmes, S.T. and Schurko, R.W. 48th Southeast Magnetic Resonance Conference (SEMRC) Gainesville, Florida, United States October 25-27 (2019)