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RESEARCH PAPER · The Journal of Physical Chemistry A · 2024

Polymorph Identification for Flexible Molecules: Linear Regression Analysis of Experimental and Calculated Solution- and Solid-State NMR Data

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Polymorph Identification for Flexible Molecules: Linear Regression Analysis of Experimental and Calculated Solution- and Solid-State NMR DataOriginalOrganic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls15Exploring the crystallisation of aspirin in a confined porous material using solid-state nuclear magnetic resonance4Polymorphism in 5-methylsalicylic acid: Insights into relative thermal behavior, luminescent properties, crystal structure, and Hirshfeld surface analysis2Three-Dimensional Atomic-Level Structure of an Amorphous Glucagon-Like Peptide-1 Receptor Agonist6The synergy of experimental and theoretical investigation of solvent impact on structural, physicochemical properties of a bioactive meta-para Schiff base crystal: 4-Bromo 3-nitrobenzylidene aniline8Data-Driven Generation of Conformational Ensembles and Ternary Complexes for PROTAC and Other Chimera Systems4Solid-state NMR spectroscopy1Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.1Unraveling structure-property relationships in pseudopolymorphic 3,3′-(4-amino-1,2,4-triazol-3,5-diyl)diphenol: Insights from advanced crystallographic analysis (Hirshfeld surfaces, Energy frameworks), thermal behavior, and luminescent properties0New Insights into the Structural Properties of Calcium Carbonate Hemihydrate by NMR Crystallography0

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  1. Organic NMR crystallography: enabling progress for applications to pharmaceuticals and plant cell walls

    Faraday Discussions · 2024-05-20

    Zainab Rehman, Jairah Lubay, W. Trent Franks, Albert P. Bartók, Emily K. Corlett, Bao Nguyen, Garry Scrivens, Brian Samas, Heather L. Frericks Schmidt, Steven P. Brown

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  2. Exploring the crystallisation of aspirin in a confined porous material using solid-state nuclear magnetic resonance

    Faraday Discussions · 2024-07-16

    Marie Juramy, Eric Besson, Stéphane Gastaldi, Fabio Ziarelli, Stéphane Viel, Giulia Mollica, Pierre Thureau

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  3. Polymorphism in 5-methylsalicylic acid: Insights into relative thermal behavior, luminescent properties, crystal structure, and Hirshfeld surface analysis

    Journal of Molecular Structure · 2024-07-23

    Ming-Yu Dong, Xin Xiong, Haiyu Ji, Ye Shi, Meng-Qi Lu, M Khazan Ya, Gui‐Mei Tang, Yong‐Tao Wang

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  4. Three-Dimensional Atomic-Level Structure of an Amorphous Glucagon-Like Peptide-1 Receptor Agonist

    Journal of the American Chemical Society · 2025-05-07

    Daria Torodii, Manuel Cordova, Jacob Brian Holmes, Pinelopi Moutzouri, Tommaso Casalini, Sten O. Nilsson Lill, Arthur C. Pinon, Christopher S. Knee, Anna Svensk Ankarberg, Okky Dwichandra Putra, Staffan Schantz, Lyndon Emsley

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  5. The synergy of experimental and theoretical investigation of solvent impact on structural, physicochemical properties of a bioactive meta-para Schiff base crystal: 4-Bromo 3-nitrobenzylidene aniline

    Journal of Molecular Liquids · 2025-05-15

    S. Priyadharshini, Pattapulavar Veilumuthu, John Godwin Christopher, K. Anitha

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  6. Data-Driven Generation of Conformational Ensembles and Ternary Complexes for PROTAC and Other Chimera Systems

    Journal of Chemical Information and Modeling · 2025-09-05

    Fabio Montisci, Laura Friggeri, Kepa Koldo Burusco, Patrick McCabe, Bojana Popovic, Jason C. Cole

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  7. Solid-state NMR spectroscopy

    Royal Society of Chemistry eBooks · 2025-12-03

    Abil E. Aliev

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  8. Solid-state conformations of pharmaceutical polymorphs in solution: validation and invalidation by NMR.

    CrystEngComm · 2026-01-01

    Kirthi Joshi, Shruti Sangwan, K. V. Jovan Jose, Vipin Agarwal, Ashwini Nangia

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  9. Unraveling structure-property relationships in pseudopolymorphic 3,3′-(4-amino-1,2,4-triazol-3,5-diyl)diphenol: Insights from advanced crystallographic analysis (Hirshfeld surfaces, Energy frameworks), thermal behavior, and luminescent properties

    Results in Chemistry · 2026-01-06

    Jia-Yi SHI, Meng-Qi Lu, Ming-Yu Dong, Xin Xiong, Juan Yang, Xue-Fei Song, Gui‐Mei Tang, Yong‐Tao Wang

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  10. New Insights into the Structural Properties of Calcium Carbonate Hemihydrate by NMR Crystallography

    Crystal Growth & Design · 2026-01-21

    Romain Chèvre, Colan E. Hughes, Samuel F. Cousin, Marie Juramy, Fabio Ziarelli, Stéphane Viel, Kenneth D. Harris, Giulia Mollica, Pierre Thureau

    Read original paper ↗ ·