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Molecular Dynamics Simulations of Two-Step Process Enable Room-Temperature Synthesis of α-FAPbI3

Paramvir Ahlawat, Haizhou Lu, Amita Ummadisingu, Haiyang Niu, Michele Invernizzi, Shaik M. Zakeeruddin, Anders Hagfeldt, Michael Grätzel, Ursula Rothlisberger, Michele Parrinello

Version 1 posted 14 October 2020

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Materials Science

Working Paper

Controlling the Polymorphism and Topology Transformation in Porphyrinic Zirconium Metal-Organic Frameworks via Mechanochemistry

Bahar Karadeniz, Dijana Žilić, Igor Huskić, Luzia S. Germann, Athena M. Fidelli, Senada Muratović, Ivor Lončarić, Martin Etter, Robert E. Dinnebier, Dajana Barišić, Nikola Cindro, Timur Islamoglu, Omar K. Farha, Tomislav Friscic, Krunoslav Uzarevic

Version 1 posted 20 September 2019

1,076

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Materials Science

Working Paper

Polymorphism of Bulk Boron Nitride

Claudio Cazorla, Tim Gould

Version 3 posted 03 January 2019

913

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Inorganic Chemistry

Working Paper

Selective Crystallization of Four Bis(phthalocyaninato)lanthanoid(III) Polymorphs

Maegan Mullenax, Claire Besson

Version 2 posted 19 July 2021

471

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Theoretical and Computational Chemistry

Working Paper

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

Edgar Olehnovics, Yifei Michelle Liu, Nada Mehio, Ahmad Sheikh, Michael Shirts, Matteo Salvalaglio

Version 1 posted 23 October 2024

186

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Catalysis

Working Paper

Highly Dispersed ZnO Sites in a ZnO/ZrO2 Catalyst Promote the CO2-to-Methanol Reaction

Xibo Zhang, Xiang Yu, Rafael G. Mendes, Peter Matvija, Angela E.M. Melcherts, Chunning Sun, Xinwei Ye, Bert M. Weckhuysen, Matteo Monai

Version 1 posted 30 April 2024

222

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Physical Chemistry

Working Paper

Mechanically-Sensitive Fluorochromism by Molecular Domino Transformation in a Schiff Base Crystal

Toshiyuki Sasaki, Takanori Nakane, Akihiro Kawamoto, Yakai Zhao, Yushi Fujimoto, Tomohiro Nishizawa, Fuyuki Ito, Upadrasta Ramamurty, Ranjit Thakuria, Genji Kurisu

Version 1 posted 18 August 2023

269

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Analytical Chemistry

Working Paper

Continuous and reversible transformation of the polymorphs of an MGAT2 inhibitor (S-309309) from the anhydrate to the hydrate in response to relative humidity

Hiroshi Ueda, Katsuji Sugita, Tetsuya Miyano

Version 1 posted 20 June 2024

100

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Analytical Chemistry

Working Paper

Solid-state vibrational circular dichroism for pharmaceutical applications: polymorphs and cocrystal of sofosbuvir

Jakub Kaminsky, Adam Sklenář, Lucie Růžičková, Lucie Bednárová, Markéta Pazderková, Argyro Chatziadi, Eliška Skořepová, Miroslav Šoóš, Věra Schrenková

Version 2 posted 07 May 2024

446

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Theoretical and Computational Chemistry

Working Paper

Structure and Stability of Molecular Crystals with Many Body Dispersion Inclusive Density Functional Tight Binding

Majid Mortazavi, Jan Gerit Brandenburg, Reinhard J. Maurer, Alexandre Tkatchenko

Version 1 posted 05 December 2017

575

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10 results in Polymorphs in Keywords: Polymorphs

Molecular Dynamics Simulations of Two-Step Process Enable Room-Temperature Synthesis of α-FAPbI3

Controlling the Polymorphism and Topology Transformation in Porphyrinic Zirconium Metal-Organic Frameworks via Mechanochemistry

Polymorphism of Bulk Boron Nitride

Selective Crystallization of Four Bis(phthalocyaninato)lanthanoid(III) Polymorphs

Accurate Lattice Free Energies of Packing Polymorphs from Probabilistic Generative Models

Highly Dispersed ZnO Sites in a ZnO/ZrO2 Catalyst Promote the CO2-to-Methanol Reaction

Mechanically-Sensitive Fluorochromism by Molecular Domino Transformation in a Schiff Base Crystal

Continuous and reversible transformation of the polymorphs of an MGAT2 inhibitor (S-309309) from the anhydrate to the hydrate in response to relative humidity

Solid-state vibrational circular dichroism for pharmaceutical applications: polymorphs and cocrystal of sofosbuvir

Structure and Stability of Molecular Crystals with Many Body Dispersion Inclusive Density Functional Tight Binding

10 results in Keywords: Polymorphs