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The Journal of Physical Chemistry. B|March 18, 2008
The thermal stability of lattice-energy minima of 5-fluorouracil: metadynamics as an aid to polymorph predictionPanagiotis G Karamertzanis, Paolo Raiteri, Michele Parrinello, et al.The Journal of Physical Chemistry. B|March 7, 2012
The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterizationDoris E Braun, Derek A Tocher, Sarah L Price, et al.Journal of the American Chemical Society|September 8, 2020
Minimizing Polymorphic Risk through Cooperative Computational and Experimental ExplorationChristopher R Taylor, Matthew T Mulvee, Domonkos S Perenyi, et al.Journal of the American Chemical Society|April 24, 2025
Nonmetal Organic Frameworks Exhibit High Proton ConductivityMegan O'Shaughnessy, Jungwoo Lim, Joseph Glover, et al.Chemical Communications (Cambridge, England)|November 11, 2022
Targeted design of porous materials without strong, directional interactionsMegan O'Shaughnessy, Peter R Spackman, Marc A Little, et al.Angewandte Chemie (International Ed. in English)|September 25, 2018
Pervasive Delocalisation Error Causes Spurious Proton Transfer in Organic Acid-Base Co-CrystalsLuc M LeBlanc, Stephen G Dale, Christopher R Taylor, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 16, 2016
Rationalization of the Color Properties of Fluorescein in the Solid State: A Combined Computational and Experimental StudyMihails Arhangelskis, Mark D Eddleston, David G Reid, et al.The Journal of Chemical Physics|December 31, 2020
Diabat method for polymorph free energies: Extension to molecular crystalsKartik Kamat, Rui Guo, Susan M Reutzel-Edens, et al.ACS Omega|August 29, 2019
Charge Distributions of Nitro Groups Within Organic Explosive Crystals: Effects on Sensitivity and ModelingAlexander A Aina, Alston J Misquitta, Maximillian J S Phipps, et al.Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials|August 25, 2020
Understanding the formation of apremilast cocrystalsMarta K Dudek, Ewelina Wielgus, Piotr Paluch, et al.Pageof 17