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9 results in Keywords: Organic Cages

Theoretical and Computational Chemistry

Working Paper

CageCavityCalc (C3): A computational tool for calculating and visualizing cavities in Molecular Cages

Vicente Martí-Centelles, Tomasz Krzysztof Piskorz, Fernanda Duarte

Version 1 posted 13 February 2024

691

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Organic Chemistry

Working Paper

Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation

Caitlin Shields, Thomas Fellowes, Anna Slater, Andrew Cooper, Keith Andrews, Filip Szczypiński

Version 1 posted 27 March 2024

408

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Organic Chemistry

Working Paper

From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting

Rebecca L. Greenaway, Valentina Santolini, Angeles Pulido, Marc A. Little, Ben M. Alston, Michael Briggs, Graeme Day, Andrew I. Cooper, Kim Jelfs

Version 1 posted 24 July 2019

618

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Organic Chemistry

Working Paper

Computational Screening for Nested Organic Cage Complexes

Enrico Berardo, Rebecca L. Greenaway, Marcin Miklitz, Andrew I. Cooper, Kim Jelfs

Version 1 posted 25 July 2019

565

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Organic Chemistry

Working Paper

Supramolecular Alloys from Fluorinated Hybrid [4+6] Imine Cages

Tom Kunde, Tobias Pausch, Bernd M. Schmidt

Version 1 posted 11 March 2021

409

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Materials Chemistry

Working Paper

Melt-Quenched Porous Organic Cage Glasses

Michael C. Brand, Francesca Greenwell, Rob Clowes, Benjamin Egleston, Aiting Kai, Andrew I. Cooper, Thomas Bennett, Rebecca L. Greenaway

Version 1 posted 23 February 2021

371

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Organic Chemistry

Working Paper

Organic Cage Dumbbells

Rebecca L. Greenaway, Valentina Santolini, Filip Szczypiński, Michael J. Bennison, Marc A. Little, Kim Jelfs, Andrew I. Cooper

Version 2 posted 18 December 2019

1,053

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Organic Chemistry

Working Paper

Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions

Bahiru Punja Benke, Tobias Kirschbaum, Jürgen Graf, Michael Mastalerz

Version 1 posted 12 April 2021

1,325

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Materials Chemistry

Working Paper

Explainable Graph Neural Networks for Organic Cages

Qi Yuan, Filip Szczypiński, Kim Jelfs

Version 1 posted 18 November 2021

428

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Citations

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9 results in Organic Cages in Keywords: Organic Cages

CageCavityCalc (C3): A computational tool for calculating and visualizing cavities in Molecular Cages

Exploration of the polymorphic solid-state landscape of an amide-linked organic cage using computation and automation

From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting

Computational Screening for Nested Organic Cage Complexes

Supramolecular Alloys from Fluorinated Hybrid [4+6] Imine Cages

Melt-Quenched Porous Organic Cage Glasses

Organic Cage Dumbbells

Dimeric and Trimeric Catenation of Giant Chiral [8+12] Imine Cubes Driven by Weak Supramolecular Interactions

Explainable Graph Neural Networks for Organic Cages

9 results in Keywords: Organic Cages