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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

1,400

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Theoretical and Computational Chemistry

Working Paper

Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes

Tim Stauch, Romit Chakraborty, Martin Head-Gordon

Version 1 posted 29 August 2019

501

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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

351

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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

671

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1

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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

273

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1

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Materials Chemistry

Working Paper

Investigating the role of compression rates in pressure induced polymerization of crystalline acrylamide using ab initio molecular dynamics

Rashid Rafeek V. Valappil, Sayan Maity, Ashwini Anshu, Lavanya M. Ramaniah, Varadharajan Srinivasan

Version 3 posted 26 May 2023

304

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Physical Chemistry

Working Paper

Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble

Samiran Sen, Morten Ledum, Sigbjørn Løland Bore, Michele Cascella

Version 1 posted 06 February 2023

182

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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

366

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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

124

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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

241

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1

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15 results in pressure in Keywords: pressure

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

Quantum Chemical Modeling of Pressure-Induced Spin Crossover in Octahedral Metal-Ligand Complexes

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

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

Investigating the role of compression rates in pressure induced polymerization of crystalline acrylamide using ab initio molecular dynamics

Soft Matter under Pressure: Pushing Particle-Field Molecular Dynamics to the Isobaric Ensemble

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)

Electron counting and high pressure phase transformations in metal hexaborides

15 results in Keywords: pressure