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Chemistry

Working Paper

On the Geometrical Representation of Classical Statistical Mechanics

Georgios C. Boulougouris

Version 1 posted 18 October 2018

1,051

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Chemistry

Working Paper

Quasi-continuous cooperative adsorption mechanism in crystalline nanoporous materials

Bartosz Mazur, Filip Formalik, Kornel Roztocki, Volodymyr Bon, Stefan Kaskel, Alexander V. Neimark, Lucyna Firlej, Bogdan Kuchta

Version 1 posted 06 June 2022

263

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Chemistry

Working Paper

The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan, Christian Holm

Version 2 posted 08 February 2022

678

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1

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Chemistry

Working Paper

How to Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations

David Beyer, Pablo M. Blanco, Jonas Landsgesell, Peter Kosovan, Christian Holm

Version 3 posted 17 December 2024

352

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Chemistry

Working Paper

Long-range solvent templating and counterion behavior at a charged, nanoscale surfaces

Camilla Di Mino, Thomas Headen, Nadir Basma, David Buckley, Patrick Cullen, Martin Wilding, Milo Shaffer, Neal Skipper, Adam Clancy, Christopher Howard

Version 1 posted 14 November 2023

225

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Chemistry

Working Paper

H and CO Co-induced Adatom Formation on Cu in CO2 Electroreduction Conditions

Zisheng Zhang, Wiston Gee, Philippe Sautet, Anastassia N. Alexandrova

Version 1 posted 07 March 2024

441

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Chemistry

Working Paper

Modeling swelling of pH-responsive microgels: Theory and simulations

Mariano E. Brito, Ellen Höpner, David Beyer, Christian Holm

Version 2 posted 16 December 2024

240

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Chemistry

Working Paper

Unexpected Two-Stage Swelling of Weak Polyelectrolyte Brushes with Divalent Counterions

David Beyer, Christian Holm

Version 2 posted 22 July 2024

251

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Chemistry

Working Paper

Amplification in the Uncertainty of the Yield and Recovery for a Steady-State Mineral Separator calculated using the Two-Product Formula

Simon Iveson, Kevin Galvin

Version 2 posted 13 February 2024

508

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Chemistry

Working Paper

How Charge Regulation Affects pH-Responsive Ampholyte Uptake in Weak Polyelectrolyte Brushes

Keerthi Radhakrishnan, David Beyer, Christian Holm

Version 2 posted 08 November 2024

400

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36 results in Monte Carlo in Keywords: Monte Carlo

On the Geometrical Representation of Classical Statistical Mechanics

Quasi-continuous cooperative adsorption mechanism in crystalline nanoporous materials

The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

How to Correct Erroneous Symmetry-Breaking in Coarse-Grained Constant-pH Simulations

Long-range solvent templating and counterion behavior at a charged, nanoscale surfaces

H and CO Co-induced Adatom Formation on Cu in CO2 Electroreduction Conditions

Modeling swelling of pH-responsive microgels: Theory and simulations

Unexpected Two-Stage Swelling of Weak Polyelectrolyte Brushes with Divalent Counterions

Amplification in the Uncertainty of the Yield and Recovery for a Steady-State Mineral Separator calculated using the Two-Product Formula

How Charge Regulation Affects pH-Responsive Ampholyte Uptake in Weak Polyelectrolyte Brushes

36 results in Keywords: Monte Carlo