Sean Holmes
Affiliations: | 2011-2017 | Chemistry and Biochemistry | University of Delaware, Newark, DE, United States |
| 2017- | Chemistry | University of Windsor, Windsor, Canada |
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| Holmes ST, Hook JM, Schurko RW. (2021) Nutraceuticals in Bulk and Dosage Forms: Analysis by Cl and N Solid-State NMR and DFT Calculations. Molecular Pharmaceutics |
| Holmes ST, Vojvodin CS, Schurko RW. (2020) Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography. The Journal of Physical Chemistry. A |
| Holmes ST, Engl OG, Srnec MN, et al. (2020) Chemical Shift Tensors of Cimetidine Form A Modeled with DFT Calculations: Implications for NMR Crystallography. The Journal of Physical Chemistry. A |
| Bai S, Quinn CM, Holmes ST, et al. (2019) High-Resolution C and Ca Solid-State NMR and Computational Studies of the Ethylene Glycol Solvate of Atorvastatin Calcium. Magnetic Resonance in Chemistry : Mrc |
| Holmes ST, Schurko RW. (2019) A DFT/ZORA Study of Cadmium Magnetic Shielding Tensors: Analysis of Relativistic Effects and Electronic-State Approximations. Journal of Chemical Theory and Computation |
| Holmes ST, Wang WD, Hou G, et al. (2019) A new NMR crystallographic approach to reveal the calcium local structure of atorvastatin calcium. Physical Chemistry Chemical Physics : Pccp |
| Lu M, Sarkar S, Wang M, et al. (2018) F Magic Angle Spinning NMR Spectroscopy and Density Functional Theory Calculations of Fluorosubstituted Tryptophans: Integrating Experiment and Theory for Accurate Determination of Chemical Shift Tensors. The Journal of Physical Chemistry. B |
| Alkan F, Holmes ST, Dybowski C. (2017) The Role of Exact Exchange and Relativistic Approximations in Calculating (19)F Magnetic Shielding in Solids Using a Cluster Ansatz. Journal of Chemical Theory and Computation |
| Holmes ST, Bai S, Iuliucci RJ, et al. (2017) Calculations of solid-state (43) Ca NMR parameters: A comparison of periodic and cluster approaches and an evaluation of DFT functionals. Journal of Computational Chemistry |
| Holmes ST, Iuliucci RJ, Mueller KT, et al. (2017) Semi-empirical refinements of crystal structures using (17)O quadrupolar-coupling tensors. The Journal of Chemical Physics. 146: 064201 |