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Polymer Science

Working Paper

Effects of Non-Electrostatic Intermolecular Interactions on the Phase Behavior of pH-Sensitive Polyelectrolyte Complexes

Lu Li, Samanvaya Srivastava, Siqi Meng, Jeffrey Ting, Matthew Tirrell

Version 2 posted 30 April 2020

959

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2

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Physical Chemistry

Working Paper

Chasing Aqueous Biphasic Systems from simple salts by exploring the LiTFSI/LiCl/H2O phase diagram

Nicolas Dubouis, Chanbum Park, Michael Deschamps, Soufiane Abdelghani-Idrissi, Matej Kanduč, Annie Colin, Mathieu Salanne, Joachim Dzubiella, Alexis Grimaud, Benjamin Rotenberg

Version 4 posted 27 February 2019

1,214

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Physical Chemistry

Working Paper

Data-Driven Many-Body Models with Chemical Accuracy for CH4/H2O Mixtures

Marc Riera, Alan Hirales, Raja Ghosh, Paesani Lab

Version 1 posted 05 October 2020

503

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Materials Chemistry

Working Paper

Phase Stability of the Tin Monochalcogenides SnS and SnSe: A Quasi-Harmonic Lattice-Dynamics Study

Ioanna Pallikara, Jonathan Skelton

Version 3 posted 19 August 2021

1,115

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Theoretical and Computational Chemistry

Working Paper

A Framework for Quantifying Uncertainty in DFT Energy Corrections

Amanda Wang, Ryan Kingsbury, Matthew McDermott, Matthew Horton, Anubhav Jain, Shyue Ping Ong, Shyam Dwaraknath, Kristin Persson

Version 1 posted 19 May 2021

1,853

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Materials Chemistry

Working Paper

Theoretical investigations on surface stabilities of CuBi2O4 and CuFeO2

Julian Beßner, Stefanie E. Bogenrieder, Robert Neuhoff, Björn Kirchhoff, Timo Jacob

Version 1 posted 21 February 2024

242

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1

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Inorganic Chemistry

Working Paper

Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants

Enric Petrus, Carles Bo

Version 1 posted 25 March 2021

328

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Theoretical and Computational Chemistry

Working Paper

Off-stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane

Zisheng Zhang, Ive Hermans, Anastassia N. Alexandrova

Version 1 posted 04 May 2023

323

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Chemical Engineering and Industrial Chemistry

Working Paper

Detecting Solution Phase Behavior in Particle Simulations

James McDonagh, William Swope, David Bray, Richard Anderson, Michael Johnston

Version 1 posted 28 February 2023

435

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Materials Science

Working Paper

Stability of oxidized states of ceria-supported PtOx particles under a wide range of gas-phase conditions

Jon Eunan Quinlivan Domínguez, Konstantin Neyman, Albert Bruix

Version 1 posted 19 October 2021

294

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13 results in Phase diagrams in Keywords: Phase diagrams

Effects of Non-Electrostatic Intermolecular Interactions on the Phase Behavior of pH-Sensitive Polyelectrolyte Complexes

Chasing Aqueous Biphasic Systems from simple salts by exploring the LiTFSI/LiCl/H2O phase diagram

Data-Driven Many-Body Models with Chemical Accuracy for CH4/H2O Mixtures

Phase Stability of the Tin Monochalcogenides SnS and SnSe: A Quasi-Harmonic Lattice-Dynamics Study

A Framework for Quantifying Uncertainty in DFT Energy Corrections

Theoretical investigations on surface stabilities of CuBi2O4 and CuFeO2

Unlocking Phase Diagrams for Molybdenum and Tungsten Nanoclusters and Prediction of their Formation Constants

Off-stoichiometric Restructuring and Sliding Dynamics of Hexagonal Boron Nitride Edges in Conditions of Oxidative Dehydrogenation of Propane

Detecting Solution Phase Behavior in Particle Simulations

Stability of oxidized states of ceria-supported PtOx particles under a wide range of gas-phase conditions

13 results in Keywords: Phase diagrams