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Theoretical and Computational Chemistry

Working Paper

A Mechanochemical Model for the Simulation of Molecules and Molecular Crystals Under Hydrostatic Pressure

Tim Stauch

Version 1 posted 11 August 2020

306

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Inorganic Chemistry

Working Paper

Manometric Real-Time Studies of the Mechanochemical Synthesis of Zeolitic Imidazolate Frameworks

Ivana Brekalo, Wenbing Yuan, Cristina Mottillo, Yuneng Lu, Yuancheng Zhang, Jose Casaban, K. Travis Holman, Stuart L. James, Frédéric Duarte, P. Andrew Williams, Kenneth D. M. Harris, Tomislav Friscic

Version 1 posted 29 July 2019

663

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Energy

Working Paper

Effect of Particle Size and Pressure on the Transport Properties of the Fast Ion Conductor t-Li7SiPS8

Christian Schneider, Christoph P. Schmidt, Anton Neumann, Moritz Clausnitzer, Marcel Sadowski, Sascha Harm, Christoph Meier, Timo Danner, Karsten Albe, Arnulf Latz, Wolfgang A. Wall, Bettina V. Lotsch

Version 1 posted 11 November 2022

332

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Physical Chemistry

Working Paper

Pressure and temperature dependence of the relaxation of the electrical double layer in hydrated magnesite rock (leukolite)

Anthony Papathanassiou, Elias Sakellis

Version 1 posted 02 August 2022

103

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Theoretical and Computational Chemistry

Working Paper

Trapping the Transition State in a [2,3]-Sigmatropic Rearrangement by Applying Pressure

Sourabh Kumar, Tim Stauch

Version 1 posted 26 July 2021

256

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Materials Chemistry

Working Paper

Reversible Pressure-Magnetic Modulation in a Tetrathiafulva-lene-Based Dyad Piezochromic Dysprosium Single-Molecule Magnet

Fabrice Pointillart, Jessica Flores Gonzalez, Haiet Douib, Vincent Montigaud, Charles McMonagle, Boris Le Guennic, Olivier Cador, Dawid Pinkowicz, Michael Probert

Version 1 posted 15 March 2022

253

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1

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Inorganic Chemistry

Working Paper

Electron counting and high pressure phase transformations in metal hexaborides

Harry Morgan, Anastassia Alexandrova

Version 1 posted 07 September 2022

184

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1

Citations

Energy

Working Paper

Stack pressure dependence on the three-dimensional structure of a composite electrode in an all-solid-state battery

Yuya Sakka, Hisao Yamashige, Akihisa Takeuchi, Masayuki Uesugi, Kentaro Uesugi, Yuki Orikasa

Version 1 posted 23 March 2022

539

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Can a Finite Chain of Hydrogen Cyanide Molecules Model a Crystal?

Chieh-Min Hsieh, Björn Grabbet, Felix Zeller, Sanna Benter, Tarek Scheele, Norman Sieroka, Tim Neudecker

Version 1 posted 09 June 2022

114

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Physical Chemistry

Working Paper

Under Pressure: Mechanochemical Effects on Structure and Ion Conduction in the Sodium-Ion Solid Electrolyte Na3PS4

Theodosios Famprikis, O. Ulas Kudu, James Dawson, Pieremanuele Canepa, François Fauth, Emmanuelle Suard, Mohamed Zbiri, Damien Dambournet, Olaf Borkiewicz, Houssny Bouyanfif, Steffen Emge, Clare P. Grey, Sorina Cretu, Jean-Nöel Chotard, Wolfgang Zeier, Saiful Islam, Christian Masquelier

Version 2 posted 24 June 2020

1,309

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15 results in Pressure in Keywords: Pressure

A Mechanochemical Model for the Simulation of Molecules and Molecular Crystals Under Hydrostatic Pressure

Manometric Real-Time Studies of the Mechanochemical Synthesis of Zeolitic Imidazolate Frameworks

Effect of Particle Size and Pressure on the Transport Properties of the Fast Ion Conductor t-Li7SiPS8

Pressure and temperature dependence of the relaxation of the electrical double layer in hydrated magnesite rock (leukolite)

Trapping the Transition State in a [2,3]-Sigmatropic Rearrangement by Applying Pressure

Reversible Pressure-Magnetic Modulation in a Tetrathiafulva-lene-Based Dyad Piezochromic Dysprosium Single-Molecule Magnet

Electron counting and high pressure phase transformations in metal hexaborides

Stack pressure dependence on the three-dimensional structure of a composite electrode in an all-solid-state battery

Can a Finite Chain of Hydrogen Cyanide Molecules Model a Crystal?

Under Pressure: Mechanochemical Effects on Structure and Ion Conduction in the Sodium-Ion Solid Electrolyte Na3PS4

15 results in Keywords: Pressure