Refining Crystal Structures with Quadrupolar NMR and Dispersion-Corrected Density Functional Theory von Holmes, Sean T, Schurko, Robert W

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Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography von Holmes, Sean T, Vojvodin, Cameron S, Schurko, Robert W

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Nutraceuticals in Bulk and Dosage Forms: Analysis by 35Cl and 14N Solid-State NMR and DFT Calculations von Holmes, Sean T, Hook, James M, Schurko, Robert W

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Critical Analysis of Cluster Models and Exchange-Correlation Functionals for Calculating Magnetic Shielding in Molecular Solids von Holmes, Sean T, Iuliucci, Robbie J, Mueller, Karl T, Dybowski, Cecil

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Hearing Rehabilitation in Vestibular Schwannoma von Mankekar, Gauri, Holmes, Sean

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A new NMR crystallographic approach to reveal the calcium local structure of atorvastatin calcium von Holmes, Sean T, Wang, Wei D, Hou, Guangjin, Dybowski, Cecil, Wang, Wei, Bai, Shi

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Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP) von Peach, Austin A, Fleischer, Carl H, Levin, Kirill, Holmes, Sean T, Sanchez, Jazmine E, Schurko, Robert W

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Nutraceuticals in Bulk and Dosage Forms: Analysis by 35 Cl and 14 N Solid-State NMR and DFT Calculations von Holmes, Sean T, Hook, James M, Schurko, Robert W

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Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction von Fleischer, 3rd, Carl H, Holmes, Sean T, Levin, Kirill, Veinberg, Stanislav L, Schurko, Robert W

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Correction: Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP) von Peach, Austin A, Fleischer, Carl H, Levin, Kirill, Holmes, Sean T, Sanchez, Jazmine E, Schurko, Robert W

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A DFT/ZORA Study of Cadmium Magnetic Shielding Tensors: Analysis of Relativistic Effects and Electronic-State Approximations von Holmes, Sean T, Schurko, Robert W

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Density functional investigation of intermolecular effects on 13C NMR chemical-shielding tensors modeled with molecular clusters von Holmes, Sean T, Iuliucci, Robbie J, Mueller, Karl T, Dybowski, Cecil

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Role of Exact Exchange and Relativistic Approximations in Calculating 19 F Magnetic Shielding in Solids Using a Cluster Ansatz von Alkan, Fahri, Holmes, Sean T, Dybowski, Cecil

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Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography von Holmes, Sean T, Engl, Olivia G, Srnec, Matthew N, Madura, Jeffry D, Quiñones, Rosalynn, Harper, James K, Schurko, Robert W, Iuliucci, Robbie J

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Structure and bonding in rhodium coordination compounds: a Rh solid-state NMR and relativistic DFT study von Holmes, Sean T, Schönzart, Jasmin, Philips, Adam B, Kimball, James J, Termos, Sara, Altenhof, Adam R, Xu, Yijue, O'Keefe, Christopher A, Autschbach, Jochen, Schurko, Robert W

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In Situ Characterization of Waters of Hydration in a Variable-Hydrate Active Pharmaceutical Ingredient Using 35Cl Solid-State NMR and X‑ray Diffraction von Hirsh, David A, Holmes, Sean T, Chakravarty, Paroma, Peach, Austin A, DiPasquale, Antonio G, Nagapudi, Karthik, Schurko, Robert W

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Multi-component crystals containing urea: mechanochemical synthesis and characterization by Cl solid-state NMR spectroscopy and DFT calculations von Vojvodin, Cameron S, Holmes, Sean T, Watanabe, Lara K, Rawson, Jeremy M, Schurko, Robert W

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High-resolution 13 C and 43 Ca solid-state NMR and computational studies of the ethylene glycol solvate of atorvastatin calcium von Bai, Shi, Quinn, Caitlin M, Holmes, Sean T, Dybowski, Cecil

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High‐resolution 13C and 43Ca solid‐state NMR and computational studies of the ethylene glycol solvate of atorvastatin calcium von Bai, Shi, Quinn, Caitlin M., Holmes, Sean T., Dybowski, Cecil

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Carbon‐13 chemical shift tensor measurements for nitrogen‐dense compounds von Holmes, Sean T., Boley, Cameron M., Dewicki, Angelika, Gardner, Zachary T., Vojvodin, Cameron S., Iuliucci, Robbie J., Schurko, Robert W.

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