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RESEARCH PAPER · CrystEngComm · 2024

Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)

Austin A. Peach, Carl H. Fleischer, Kirill Levin, Sean T. Holmes, Jazmine E. Sanchez, Robert W. Schurko

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Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)OriginalCharacterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction13Mechanochemical synthesis and 35 Cl NMR crystallography of ionic cocrystals of phenothiazine drugs5Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP) of zwitterionic organic HCl salts3A Novel Solid Form of Erlotinib: Synthesis by Heterogeneous Complexation and Characterization by NMR Crystallography4Mechanochemical Synthesis and NMR Crystallography of Multicomponent Crystals: New Perspectives from Chlorine and Alkali Metal Solid-State NMR Spectroscopy3De novo crystal structure determination of L-alaninamide HCl by quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)5NMR Crystallographic Journey from Light to Heavy Atoms of Mercury(II)-DOTAM Complexes and Extraction of Related Structural Parameters2Impact of shared facilities in advancing solid-state NMR research: 2025 edition1Pushing the limits of NMR crystallography: a study on three forms of glycylglycine0Multinuclear Solid-State NMR and NMR Crystallography of Solid Forms of Creatine and Creatinine1Ultra‐Wideline 2D Correlations Among Low‐ γ Species in Solid‐State NMR via the Progressive Saturation of a Common Proton Reservoir0

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  1. Characterization of ephedrine HCl and pseudoephedrine HCl using quadrupolar NMR crystallography guided crystal structure prediction

    Faraday Discussions · 2024-06-24

    Carl H. Fleischer, Sean T. Holmes, Kirill Levin, Stanislav L. Veinberg, Robert W. Schurko

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  2. Mechanochemical synthesis and 35 Cl NMR crystallography of ionic cocrystals of phenothiazine drugs

    CrystEngComm · 2025-01-01

    Zachary T. Dowdell, Austin A. Peach, John P Purdie, Sean T. Holmes, Lara K. Watanabe, Jeremy M. Rawson, Robert W. Schurko

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  3. Quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP) of zwitterionic organic HCl salts

    CrystEngComm · 2025-01-01

    Carl H. Fleischer, Sean T. Holmes, Robert W. Schurko

    Read original paper ↗ ·

  4. A Novel Solid Form of Erlotinib: Synthesis by Heterogeneous Complexation and Characterization by NMR Crystallography

    Crystal Growth & Design · 2025-04-29

    Sean T. Holmes, Ren A. Wiscons, Kerrigan Parks, Sarah Nickel, Halie Ankeny, Aaron M. Viggiano, Derek A. Bedillion, Deben N. Shoup, Robbie J. Iuliucci, Qiang Wang, Robert W. Schurko, Rosalynn Quiñones

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  5. Mechanochemical Synthesis and NMR Crystallography of Multicomponent Crystals: New Perspectives from Chlorine and Alkali Metal Solid-State NMR Spectroscopy

    Crystal Growth & Design · 2025-08-14

    Cameron S. Vojvodin, Jazmine E. Sanchez, Sean T. Holmes, Xinsong Lin, Robert W. Schurko

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  6. De novo crystal structure determination of L-alaninamide HCl by quadrupolar NMR crystallography guided crystal structure prediction (QNMRX-CSP)

    Solid State Nuclear Magnetic Resonance · 2025-08-22

    Carl H. Fleischer, Sean T. Holmes, Xinsong Lin, Robert W. Schurko

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  7. NMR Crystallographic Journey from Light to Heavy Atoms of Mercury(II)-DOTAM Complexes and Extraction of Related Structural Parameters

    Inorganic Chemistry · 2025-10-16

    Jakub Obuch, Jan Novotný, Jiřı́ Czernek, Ivana Cı́sařová, Petr Hermann, Radek Marek, David L. Bryce, Libor Kobera, Jiřı́ Brus

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  8. Impact of shared facilities in advancing solid-state NMR research: 2025 edition

    Solid State Nuclear Magnetic Resonance · 2025-11-28

    Robert W. Schurko, Chad M. Rienstra, Christopher P. Jaroniec, Alexandar L. Hansen, W. Trent Franks, David L. Bryce, Andreas Brinkmann, Victor V. Terskikh, Steven P. Brown, Dinu Iuga, Carine van Heijenoort, Franck Fayon, Sylvain Bertaina, Carlos Alfonso, Göran Karlsson, Gerhard Gröbner, Marek J. Potrzebowski, Linda Cerofolini, Enrico Ravera, Marco Fragai, Moreno Lelli, Anne S. J. Lesage, Guido Pintacuda, Miquel Pons, Luís Mafra, José F. Schneider, Gustavo Alberto Monti, Rodolfo Hector Acosta, Horacio M. Pastawski, Brijith Thomas, Yu. G. Kolyagin, Vipin Agarwal, Guangjin Hou, Feng Deng, Kai Xue, T. Kigawa, G. N. Manjunatha Reddy

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  9. Pushing the limits of NMR crystallography: a study on three forms of glycylglycine

    Physical Chemistry Chemical Physics · 2026-01-01

    Sean T. Holmes, Aaron M. Viggiano, Christine L Plavchak, Haylee Holman, Megan Joyce, Cameron S. Vojvodin, Xinsong Lin, Robbie Iuliucci, Robert W. Schurko

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  10. Multinuclear Solid-State NMR and NMR Crystallography of Solid Forms of Creatine and Creatinine

    Molecular Pharmaceutics · 2026-05-07

    Carl H. Fleischer, Victoria K. Rash, Zachary T. Dowdell, Sara Termos, Xinsong Lin, Shubha S. Gunaga, Frédéric Mentink‐Vigier, Juan D. Jiménez, Milinda Abeykoon, Sanjaya D. Senanayake, Sean T. Holmes, Robert W. Schurko

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  11. Ultra‐Wideline 2D Correlations Among Low‐ γ Species in Solid‐State NMR via the Progressive Saturation of a Common Proton Reservoir

    Chemistry - A European Journal · 2026-05-23

    Rihards Aleksis, Lucio Frydman

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