Robert W Schurko

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 25

Top Topics

Density Functional Theory

Molecularly Imprinted

Magnetic Resonance

Top Venues

Magnetic resonance in chemistry : MRC

Chemical science

The journal of physical chemistry. A

This page only lists publications with an associated author ORCID identifier.

Publications

Sean T Holmes, Cameron M Boley, Angelika Dewicki, Zachary T Gardner, Cameron S Vojvodin, Robbie J Iuliucci, Robert W Schurko
Carbon-13 chemical shift tensor measurements for nitrogen-dense compounds. Magnetic resonance in chemistry : MRC 62 (3) (2024)
Sean T Holmes, Cameron M Boley, Angelika Dewicki, Zachary T Gardner, Cameron S Vojvodin, Robbie J Iuliucci, Robert W Schurko
Carbon-13 chemical shift tensor measurements for nitrogen-dense compounds. Magnetic resonance in chemistry : MRC (2024)
Alexander J Stirk, Sean T Holmes, Fabio E S Souza, Ivan Hung, Zhehong Gan, James F Britten, Allan W Rey, Robert W Schurko
An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy. CrystEngComm 26 (9) (2024)
Carl H Fleischer, Sean T Holmes, Kirill Levin, Stanislav L Veinberg, Robert W Schurko
Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction. Faraday discussions (2024)
Alexander J Stirk, Sean T Holmes, Fabio E S Souza, Ivan Hung, Zhehong Gan, James F Britten, Allan W Rey, Robert W Schurko
An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy. CrystEngComm 26 (9) (2024)
Alexander J Stirk, Sean T Holmes, Fabio E S Souza, Ivan Hung, Zhehong Gan, James F Britten, Allan W Rey, Robert W Schurko
An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy. CrystEngComm 26 (9) (2024)
Sean T Holmes, Cameron M Boley, Angelika Dewicki, Zachary T Gardner, Cameron S Vojvodin, Robbie J Iuliucci, Robert W Schurko
Carbon-13 chemical shift tensor measurements for nitrogen-dense compounds. Magnetic resonance in chemistry : MRC 62 (3) (2024)
Alexander J Stirk, Sean T Holmes, Fabio E S Souza, Ivan Hung, Zhehong Gan, James F Britten, Allan W Rey, Robert W Schurko
An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy. CrystEngComm 26 (9) (2024)
Maarten Houlleberghs, Shannon Helsper, Dirk Dom, Thierry Dubroca, Bianca Trociewitz, Robert W Schurko, Sambhu Radhakrishnan, Eric Breynaert
Building a Cost-Efficient High-Pressure Cell for Online High-Field NMR and MRI Using Standard Static Probe Heads: An In Situ Demonstration on Clathrate Hydrate Formation. Analytical chemistry (2023)
Sean T Holmes, Jasmin Schönzart, Adam B Philips, James J Kimball, Sara Termos, Adam R Altenhof, Yijue Xu, Christopher A O'Keefe, Jochen Autschbach, Robert W Schurko
Structure and bonding in rhodium coordination compounds: a 103 Rh solid-state NMR and relativistic DFT study. Chemical science 15 (6) (2023)
Sean T Holmes, Jasmin Schönzart, Adam B Philips, James J Kimball, Sara Termos, Adam R Altenhof, Yijue Xu, Christopher A O'Keefe, Jochen Autschbach, Robert W Schurko
Structure and bonding in rhodium coordination compounds: a 103 Rh solid-state NMR and relativistic DFT study. Chemical science 15 (6) (2023)
James J Kimball, Adam R Altenhof, Michael J Jaroszewicz, Robert W Schurko
Broadband Cross-Polarization to Half-Integer Quadrupolar Nuclei: Wideline Static NMR Spectroscopy. The journal of physical chemistry. A (2023)
Sean T Holmes, Jasmin Schönzart, Adam B Philips, James J Kimball, Sara Termos, Adam R Altenhof, Yijue Xu, Christopher A O'Keefe, Jochen Autschbach, Robert W Schurko
Structure and bonding in rhodium coordination compounds: a 103 Rh solid-state NMR and relativistic DFT study. Chemical science 15 (6) (2023)
Adam R Altenhof, Michael J Jaroszewicz, Lucio Frydman, Robert W Schurko
3D relaxation-assisted separation of wideline solid-state NMR patterns for achieving site resolution. Physical chemistry chemical physics : PCCP 24 (37) (2022)
Eva Meirovitch, Zhichun Liang, Robert W Schurko, Stephen J Loeb, Jack H Freed
Structural Dynamics by NMR in the Solid State: II. The MOMD Perspective of the Dynamic Structure of Metal-Organic Frameworks Comprising Several Mobile Components. The journal of physical chemistry. B 126 (13) (2022)
Sean T Holmes, James M Hook, Robert W Schurko
Nutraceuticals in Bulk and Dosage Forms: Analysis by 35Cl and 14N Solid-State NMR and DFT Calculations. Molecular pharmaceutics (2021)
Adam R Altenhof, Sungsool Wi, Robert W Schurko
Broadband adiabatic inversion cross-polarization to integer-spin nuclei with application to deuterium NMR. Magnetic resonance in chemistry : MRC 59 (9-10) (2021)
Benjamin H Wilson, Louae M Abdulla, Robert W Schurko, Stephen J Loeb
Translational dynamics of a non-degenerate molecular shuttle imbedded in a zirconium metal-organic framework. Chemical science 12 (11) (2021)
Adrian Gonzalez-Nelson, Srinidhi Mula, Mantas Šimėnas, Sergejus Balčiu Nas, Adam R Altenhof, Cameron S Vojvodin, Stefano Canossa, Ju Ras Banys, Robert W Schurko, François-Xavier Coudert, Monique Ann van der Veen
Emergence of Coupled Rotor Dynamics in Metal-Organic Frameworks via Tuned Steric Interactions. Journal of the American Chemical Society 143 (31) (2021)
Michael J Jaroszewicz, Adam R Altenhof, Robert W Schurko, Lucio Frydman
Sensitivity Enhancement by Progressive Saturation of the Proton Reservoir: A Solid-State NMR Analogue of Chemical Exchange Saturation Transfer. Journal of the American Chemical Society 143 (47) (2021)
Sean T Holmes, Olivia G Engl, Matthew N Srnec, Jeffry D Madura, Rosalynn Quiñones, James K Harper, Robert W Schurko, Robbie J Iuliucci
Chemical Shift Tensors of Cimetidine Form A Modeled with Density Functional Theory Calculations: Implications for NMR Crystallography. The journal of physical chemistry. A 124 (16) (2020)
Sean T Holmes, Cameron S Vojvodin, Robert W Schurko
Dispersion-Corrected DFT Methods for Applications in Nuclear Magnetic Resonance Crystallography. The journal of physical chemistry. A 124 (49) (2020)
Sean T Holmes, Robert W Schurko
A DFT/ZORA Study of Cadmium Magnetic Shielding Tensors: Analysis of Relativistic Effects and Electronic-State Approximations. Journal of chemical theory and computation 15 (3) (2019)
David A Hirsh, Yongchao Su, Haichen Nie, Wei Xu, Dirk Stueber, Narayan Variankaval, Robert W Schurko
Quantifying Disproportionation in Pharmaceutical Formulations with 35Cl Solid-State NMR. Molecular pharmaceutics 15 (9) (2018)
Michael J Jaroszewicz, Lucio Frydman, Robert W Schurko
Relaxation-Assisted Separation of Overlapping Patterns in Ultra-Wideline NMR Spectra. The journal of physical chemistry. A 121 (1) (2016)