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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

1,815

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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

2,431

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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

526

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Nanoscience

Working Paper

A Neural Network Potential with Rigorous Treatment of Long-Range Dispersion

Tu Nguyen Thien Phuc, Nazanin Rezajooei, Erin Johnson, Christopher Rowley

Version 2 posted 29 December 2022

826

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Theoretical and Computational Chemistry

Working Paper

Benchmarking aspects of ab initio fragment models for accurate excimer potential energy surfaces

Bónis Barcza, Ádám B. Szirmai, John F. Stanton, Attila Tajti, Péter G. Szalay

Version 4 posted 10 May 2023

427

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Theoretical and Computational Chemistry

Working Paper

Noncovalently bound excited-state dimers: a perspective on current time-dependent Density Functional Theory approaches applied to aromatic excimer models

Amy Hancock, Lars Goerigk

Version 1 posted 16 March 2022

216

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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

993

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Theoretical and Computational Chemistry

Working Paper

Simulating the Hydration Structure of Low- and High-Spin [Fe(bpy)3]2+: Long-Range Dispersion and Many-Body Effects

Habiburrahman Zulfikri, Mátyas Pápai, Asmus Ougaard Dohn

Version 1 posted 21 February 2022

157

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Materials Science

Working Paper

Dispersion State Phase Diagram of Citrate-Coated Metallic Nanoparticles in Saline Solutions

Sebastian Franco Ulloa, Giuseppina Tatulli, Sigbjørn Løland Bore, Mauro Moglianetti, Pier Paolo Pompa, Michele Cascella, Marco De Vivo

Version 1 posted 23 April 2020

493

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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

839

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Refine Search

24 results in dispersion in Keywords: dispersion

On the State and Stability of Fuel Cell Catalyst Inks

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

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

A Neural Network Potential with Rigorous Treatment of Long-Range Dispersion

Benchmarking aspects of ab initio fragment models for accurate excimer potential energy surfaces

Noncovalently bound excited-state dimers: a perspective on current time-dependent Density Functional Theory approaches applied to aromatic excimer models

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

Simulating the Hydration Structure of Low- and High-Spin [Fe(bpy)3]2+: Long-Range Dispersion and Many-Body Effects

Dispersion State Phase Diagram of Citrate-Coated Metallic Nanoparticles in Saline Solutions

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

24 results in Keywords: dispersion