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Crystal Growth & Design|January 10, 2023
Seeking Rules Governing Mixed Molecular CrystallizationNorbert M Villeneuve, Joshua Dickman, Thierry Maris, et al.Journal of the American Chemical Society|November 9, 2006
Prediction and observation of isostructurality induced by solvent incorporation in multicomponent crystalsAurora J Cruz Cabeza, Graeme M Day, W D Samuel Motherwell, et al.Chemical Science|April 21, 2018
Machine learning for the structure-energy-property landscapes of molecular crystalsFélix Musil, Sandip De, Jack Yang, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 18, 2013
Polymorph identification and crystal structure determination by a combined crystal structure prediction and transmission electron microscopy approachMark D Eddleston, Katarzyna E Hejczyk, Erica G Bithell, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|April 18, 2013
Determination of the crystal structure of a new polymorph of theophyllineMark D Eddleston, Katarzyna E Hejczyk, Erica G Bithell, et al.Chemistry of Materials : a Publication of the American Chemical Society|August 5, 2026
Engineering Small-Molecule Proton-Transfer Ferroelectrics by Crystal Structure Prediction: Design Limits at the Salt-Cocrystal BoundaryS Seyedraoufi, Owen D W Hewitt, Simon J Coles, et al.Journal of the American Chemical Society|September 28, 2010
Interaction of charge carriers with lattice vibrations in oligoacene crystals from naphthalene to pentaceneRoel S Sánchez-Carrera, Pavel Paramonov, Graeme M Day, et al.The Journal of Physical Chemistry. A|January 6, 2006
Molecular conformations and relative stabilities can be as demanding of the electronic structure method as intermolecular calculationsTanja van Mourik, Panagiotis G Karamertzanis, Sarah L PriceJournal of Chemical Theory and Computation|December 2, 2015
Accurate Induction Energies for Small Organic Molecules. 2. Development and Testing of Distributed Polarizability Models against SAPT(DFT) EnergiesAlston J Misquitta, Anthony J Stone, Sarah L PriceThe Journal of Chemical Physics|March 9, 2021
A non-empirical intermolecular force-field for trinitrobenzene and its application in crystal structure predictionAlex A Aina, Alston J Misquitta, Sarah L PricePageof 17