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Physical Chemistry

Working Paper

Cation Dynamics and Structural Stabilization in Formamidinium Lead Iodide Perovskites

Kacper Druzbicki, Rasmus Laven, Jeff Armstrong, Lorenzo Malavasi, Felix Fernandez-Alonso, Maths Karlsson

Version 1 posted 26 February 2021

938

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Organic Chemistry

Working Paper

Cocrystal Trimorphism as a Consequence of Orthogonality of Halogen- and Hydrogen-Bonding

Filip Topic, Katarina Lisac, Mihails Arhangelskis, Kari Rissanen, Dominik Cincic, Tomislav Friscic

Version 1 posted 26 August 2019

473

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Inorganic Chemistry

Working Paper

Solid State Analysis and Theoretical Explorations on Polymorphic and Hydrate Forms of p-Hydroxybenzaldehyde Isonicotinichydrazone: Effect of Additives on Polymorphic Crystallization

Lincy Tom, Victoria A. Smolenski, Jerry P. Jasinski, M.R. Prathapachandra Kurup

Version 1 posted 12 June 2018

789

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Materials Science

Working Paper

Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks

Alice Bumstead, Maria Laura Rios Gomez, Michael Thorne, Adam Sapnik, Louis Longley, Joshua M. Tuffnell, Dean Keeble, David A. Keen, Thomas Bennett

Version 1 posted 18 March 2020

533

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Physical Chemistry

Working Paper

High-Throughput Oil-Encapsulated Nanodroplet Crystallisation for Organic-Soluble Small Molecule Structure Elucidation and Polymorph Screening (ENaCt)

Andrew Tyler, Ronnie Ragbirsingh, Charles McMonagle, Paul Waddell, Sarah Heaps, Jonathan Steed, Paul Thaw, Michael Hall, Michael Probert

Version 1 posted 20 December 2019

731

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Physical Chemistry

Working Paper

Minimizing Polymorphic Risk Through Cooperative Computational and Experimental Exploration

Christopher R. Taylor, Matthew T. Mulvee, Domonkos S. Perenyi, Michael R. Probert, Graeme Day, Jonathan Steed

Version 1 posted 25 June 2020

455

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Physical Chemistry

Working Paper

On the Polymorph-Selective Role of Hydrogen Bonding and π - π Stacking in Para-Aminobenzoic Acid Solutions

Raitis Bobrovs, Laura Drunka, Andrievis Auseklis Auzins, Kristaps Jaudzems, Matteo Salvalaglio

Version 1 posted 14 September 2020

351

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Materials Science

Working Paper

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

Ryther Anderson, Diego Gómez-Gualdrón

Version 1 posted 21 February 2020

788

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1

Citations

Physical Chemistry

Working Paper

Machine-Learnt Fragment-Based Energies for Crystal Structure Prediction

David McDonagh, Chris-Kriton Skylaris, Graeme Day

Version 1 posted 14 January 2019

602

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Theoretical and Computational Chemistry

Working Paper

Discovery of Highly Polymorphic Organic Materials: A New Machine Learning Approach

Zied Hosni, Annalisa Riccardi, Stephanie Yerdelen, Alan R. G. Martin, Deborah Bowering, Alastair Florence

Version 1 posted 13 August 2019

1,030

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46 results in Polymorphism in Keywords: Polymorphism

Cation Dynamics and Structural Stabilization in Formamidinium Lead Iodide Perovskites

Cocrystal Trimorphism as a Consequence of Orthogonality of Halogen- and Hydrogen-Bonding

Solid State Analysis and Theoretical Explorations on Polymorphic and Hydrate Forms of p-Hydroxybenzaldehyde Isonicotinichydrazone: Effect of Additives on Polymorphic Crystallization

Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks

High-Throughput Oil-Encapsulated Nanodroplet Crystallisation for Organic-Soluble Small Molecule Structure Elucidation and Polymorph Screening (ENaCt)

Minimizing Polymorphic Risk Through Cooperative Computational and Experimental Exploration

On the Polymorph-Selective Role of Hydrogen Bonding and π - π Stacking in Para-Aminobenzoic Acid Solutions

Large-Scale Free Energy Calculations on a Computational MOF Database: Toward Synthetic Likelihood Predictions

Machine-Learnt Fragment-Based Energies for Crystal Structure Prediction

Discovery of Highly Polymorphic Organic Materials: A New Machine Learning Approach

46 results in Keywords: Polymorphism