Sean Holmes

Postdoctoral Associate

CIMAR, NMR

Headshot

Contact Information

Email sholmes2@fsu.edu
Phone (850) 644.3810
Address 95 Chieftan Way Rm.
Tallahassee , FL 32306-4390
Building CSL

Publications and Scientific Activities

    2020

    1. Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography Holmes, S.; Engl, O.G.; Srnec, M.N.; Madura, J.D.; Quinones, R.; Harper, J.K.; Schurko, R.W.; Iuliucci, R.J. J. Phys. Chem. A, 124, 3109-3119 (2020)

    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 & Design, 12, 7349-7362 (2019)
    2. Frequency-Swept Pulses and Pulses Designed with Optimal Control Theory for Ultra-Wideline NMR Spectroscopy Altenhof, A.R.; Lindquist, A.W.; Foster, L.D.D.; Holmes, S.T. and Schurko, R.W. 48th Southeast Magnetic Resonance Conference (SEMRC) Gainesville, Florida, United States Oct. 26 (2019)
    3. 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)
    4. 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)
    5. DFT/ZORA calculations of Cd and Pt magnetic shielding tensors Holmes, S.T. and Schurko, R.W. 48th Southeast Magnetic Resonance Conference (SEMRC) Gainesville, Florida, United States October 25-27 (2019)
    6. New Pulse Sequences for Ultra-Wideline NMR Spectroscopy Altenhof, A.R.; Lindquist, A.W.; Foster, L.D.D.; Holmes, S.T. and Schurko, R.W. 2019 Gateway NMR Meeting Ann Arbor, Michigan, United States Sep. 21-22 (2019)