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5 results in Keywords: Lennard-Jones potential

Theoretical and Computational Chemistry

Cation-π Interactions Involving Graphynes: An Intermolecular Force Field Formulation Featuring Ion-Induced Dipole Effects

Akhil Kottayil, Medha Sangeetha Prakash, Rotti Srinivasamurthy Swathi

Version 1 posted 19 November 2024

108

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Chemical Engineering and Industrial Chemistry

Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state

Nils Edvin Richard Zimmermann, Gabriela Guevara-Carrion, Jadran Vrabec, Niels Hansen

Version 2 posted 05 July 2022

331

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Theoretical and Computational Chemistry

On the binding energy of atoms in crystals and the speed of sound

Version 5 posted 19 April 2023

805

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Physical Chemistry

Density Layering During Gaseous Diffusion in Carbon Nanotubes: An Analytic Model

Douglas Barlow, Fenner Colson

Version 1 posted 05 May 2022

123

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Theoretical and Computational Chemistry

Effective Volume Correction for Lennard-Jones Static Potential Matching on Coarse-Graining Small Molecules

Qingdong Zhu, Yuwei Zhang, Fei Xia

Version 1 posted 03 April 2024

243

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1

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