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Theoretical and Computational Chemistry

Working Paper

Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model

Mohamad Mohebifar, Erin R. Johnson, Christopher Rowley

Version 1 posted 11 September 2017

2,445

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Theoretical and Computational Chemistry

Working Paper

Are Dispersion Corrections Accurate Outside Equilibrium? A Case Study on Benzene

Tim Gould, Erin R. Johnson, Sherif Abdulkader Tawfik

Version 1 posted 23 February 2018

937

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Theoretical and Computational Chemistry

Working Paper

Benchmarking Several van der Waals Dispersion Approaches for the Description of Intermolecular Interactions

Julien Claudot, Won June Kim, Anant Dixit, Hyungjun Kim, Tim Gould, Dario Rocca, Sébastien Lebègue

Version 1 posted 01 February 2018

1,013

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Physical Chemistry

Working Paper

On the State and Stability of Fuel Cell Catalyst Inks

Shalmali Bapat, Christopher Giehl, Sebastian Kohsakowski, Volker Peinecke, Michael Schäffler, Doris Segets

Version 4 posted 09 June 2021

1,904

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Materials Science

Working Paper

Exhibitive Nano-to-Micron Scale Sedimentation Dynamics of Colloidal Formulations Through Direct Visualization

Shalmali Bapat, Doris Segets

Version 2 posted 27 May 2020

544

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Physical Chemistry

Working Paper

Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules

Brian Nguyen, Guo P Chen, Matthew M. Agee, Asbjörn M. Burow, Matthew Tang, Filipp Furche

Version 2 posted 17 February 2020

1,013

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Organic Chemistry

Working Paper

Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches

carmelo Naim, Frédéric Castet, Eduard Matito

Version 1 posted 07 June 2021

287

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Chemical Engineering and Industrial Chemistry

Working Paper

Chemical Compositions in Modified Salinity Waterflooding of Carbonate Reservoirs -- Experiment

Maxim Yutkin, Clayton J. Radke, Tadeusz Patzek

Version 1 posted 23 April 2021

329

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1

Citations

Theoretical and Computational Chemistry

Working Paper

An Efficient and Accurate Model for Water with an Improved Non-Bonded Potential

Mohamad Mohebifar, Christopher Rowley

Version 2 posted 23 September 2020

865

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Theoretical and Computational Chemistry

Working Paper

Smooth dispersion is physically appropriate: Assessing and amending the D4 dispersion model

Nikolay V. Tkachenko, Linus Bjarne Dittmer, Rebecca Tomann, Martin Head-Gordon

Version 1 posted 11 September 2024

250

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25 results in Dispersion in Keywords: Dispersion

Evaluating Force-Field London Dispersion Coefficients Using the Exchange-Hole Dipole Moment Model

Are Dispersion Corrections Accurate Outside Equilibrium? A Case Study on Benzene

Benchmarking Several van der Waals Dispersion Approaches for the Description of Intermolecular Interactions

On the State and Stability of Fuel Cell Catalyst Inks

Exhibitive Nano-to-Micron Scale Sedimentation Dynamics of Colloidal Formulations Through Direct Visualization

Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules

Impact of Van der Waals interactions on structural and nonlinear optical properties of azobenzene switches

Chemical Compositions in Modified Salinity Waterflooding of Carbonate Reservoirs -- Experiment

An Efficient and Accurate Model for Water with an Improved Non-Bonded Potential

Smooth dispersion is physically appropriate: Assessing and amending the D4 dispersion model

25 results in Keywords: Dispersion