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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

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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Physical Chemistry

Working Paper

Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling

Shiyue Yang, Graeme Day

Version 1 posted 16 October 2020

540

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Inorganic Chemistry

Working Paper

Mechanochemical Synthesis of a Mercury(II) Metal-Organic Framework Reveals a Two-Dimensional Polymorph Stabilized by Weak Interactions

Isaiah R. Speight, Igor Huskić, Mihails Arhangelskis, Hatem M. Titi, Robin Stein, Timothy P. Hanusa, Tomislav Friscic

Version 1 posted 26 August 2019

580

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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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Physical Chemistry

Working Paper

High-Pressure Nucleation of Low-Density Polymorphs

Szymon Sobczak, Paulina Ratajczyk, Andrzej Katrusiak

Version 1 posted 02 November 2020

285

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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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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

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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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

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46 results in polymorphism in Keywords: polymorphism

Investigating the Melting Behaviour of Polymorphic Zeolitic Imidazolate Frameworks

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

Exploration and Optimization in Crystal Structure Prediction: Combining Basin Hopping with Quasi-Random Sampling

Mechanochemical Synthesis of a Mercury(II) Metal-Organic Framework Reveals a Two-Dimensional Polymorph Stabilized by Weak Interactions

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

High-Pressure Nucleation of Low-Density Polymorphs

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

Minimizing Polymorphic Risk Through Cooperative Computational and Experimental Exploration

Machine-Learnt Fragment-Based Energies for Crystal Structure Prediction

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

46 results in Keywords: polymorphism