Search Results - "Cook, Cameron J"
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1
Organic Crystal Packing Is Key to Determining the Photomechanical Response
Published in The journal of physical chemistry letters (03-08-2023)“…Organic photomechanical crystals have great promise as molecular machines, but their development has been hindered by a lack of clear theoretical design…”
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Journal Article -
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Contrasting conformational behaviors of molecules XXXI and XXXII in the seventh blind test of crystal structure prediction
Published in Acta crystallographica Section B, Structural science, crystal engineering and materials (01-12-2024)“…Accurate modeling of conformational energies is key to the crystal structure prediction of conformational polymorphs. Focusing on molecules XXXI and XXXII from…”
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Journal Article -
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A theoretical framework for the design of molecular crystal engines
Published in Chemical science (Cambridge) (25-01-2023)“…Photomechanical molecular crystals have garnered attention for their ability to transform light into mechanical work, but difficulties in characterizing the…”
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Journal Article -
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Low-Cost Strategies for Accurate Free Energy Prediction of Organic Molecular Crystals
Published 01-01-2022“…Consistent, accurate in silico characterization of organic molecular crystals would greatly benefit the discovery of new materials. This thesis presents…”
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Dissertation