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Earth, Space, and Environmental Chemistry

Working Paper

Water Structure on Mica Surfaces: Investigating the Effect of Cations

Jiarun Zhou, Nurun Nahar Lata, Sapna Sarupria, will cantrell

Version 1 posted 20 September 2019

757

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2

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Chemical Engineering and Industrial Chemistry

Working Paper

Prediction of the Osmotic/activity Coefficients of Alkali Hydroxide Electrolytes

Timothy Duignan, Xiu Song Zhao

Version 2 posted 08 September 2021

427

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Materials Science

Working Paper

Lifting Hofmeister’s curse: Impact of cations on diffusion, hydrogen bonding and clustering of water

Mario González-Jiménez, Zhiyu Liao, Elen Williams, Klaas Wynne

Version 1 posted 29 August 2023

194

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Physical Chemistry

Working Paper

Molecular insights into the influence of ions on water structure. I. Alkali metal ions in solution

Roya Savoj, Henry Agnew, Ruihan Zhou, Francesco Paesani

Version 2 posted 05 February 2024

371

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Theoretical and Computational Chemistry

Working Paper

Exploring Ion Polarizabilities and Their Correlation with Van der Waals Radii: A Theoretical Investigation

Madelyn Smith, Richa Khatiwada, Pengfei Li

Version 3 posted 13 August 2024

345

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Physical Chemistry

Working Paper

The Role of Ions on the Surface-Bound Water Structure at the Silica/Water Interface: Identifying the Spectral Signature of Stability

Benjamin Rehl, Julianne M. Gibbs

Version 1 posted 30 November 2020

580

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Materials Chemistry

Working Paper

Water Structure in the Electrical Double Layer and the Contributions to the Total Interfacial Potential at Different Surface Charge Densities

Benjamin Rehl, Emily Ma, Shyam Parshotam, Emma L. DeWalt-Kerian, Tianli Liu, Franz M. Geiger, Julianne M. Gibbs

Version 4 posted 18 July 2022

1,601

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Physical Chemistry

Working Paper

Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions

Leif Jacobson, James Stevenson, Farhad Ramezanghorbani, Delaram Ghoreishi, Karl Leswing, Ed Harder, Robert Abel

Version 3 posted 21 February 2022

1,804

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Theoretical and Computational Chemistry

Working Paper

Development and Application of ReaxFF Methodology for Understanding the Chemical Dynamics of Metal Carbonates in Aqueous Solutions

Nabankur Dasgupta, Chen Chen, Adri van Duin

Version 1 posted 21 October 2021

630

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Physical Chemistry

Working Paper

A consistent picture of phosphate–divalent cation binding from models with implicit and explicit electronic polarization

Julie Puyo, Marie Juillé, Jérôme Hénin, Carine Clavaguéra, Elise Duboué-Dijon

Version 2 posted 27 April 2022

414

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13 results in Ions in Keywords: Ions

Water Structure on Mica Surfaces: Investigating the Effect of Cations

Prediction of the Osmotic/activity Coefficients of Alkali Hydroxide Electrolytes

Lifting Hofmeister’s curse: Impact of cations on diffusion, hydrogen bonding and clustering of water

Molecular insights into the influence of ions on water structure. I. Alkali metal ions in solution

Exploring Ion Polarizabilities and Their Correlation with Van der Waals Radii: A Theoretical Investigation

The Role of Ions on the Surface-Bound Water Structure at the Silica/Water Interface: Identifying the Spectral Signature of Stability

Water Structure in the Electrical Double Layer and the Contributions to the Total Interfacial Potential at Different Surface Charge Densities

Transferable Neural Network Potential Energy Surfaces for Closed-Shell Organic Molecules: Extension to Ions

Development and Application of ReaxFF Methodology for Understanding the Chemical Dynamics of Metal Carbonates in Aqueous Solutions

A consistent picture of phosphate–divalent cation binding from models with implicit and explicit electronic polarization

13 results in Keywords: Ions