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Materials Chemistry

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Theoretical and Computational Chemistry

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Intermolecular Forces

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5 results in Keywords: Intermolecular Forces

Theoretical and Computational Chemistry

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

Symmetry-Adapted Perturbation Theory Decomposition of the Reaction Force: Insights into Substituent Effects Involved in Hemiacetal Formation Mechanisms

Wallace Derricotte

Version 1 posted 22 July 2019

545

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Physical Chemistry

Correlation Between Saturated Fatty Acid Chain-Length and Intermolecular Forces Determined with Terahertz Spectroscopy

Shuting Fan, Michael Ruggiero, Zhengfang Qian, Vincent P. Wallace

Version 1 posted 08 January 2019

815

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Theoretical and Computational Chemistry

Fast Treatment of Noncovalent Packing Using Dispersion-Corrected Harris Approximate Density Functional Theory

Andrey B. Sharapov, Geoffrey Hutchison

Version 1 posted 16 August 2017

573

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Physical Chemistry

Transcending Lifshitz Theory: Reliable Prediction of Adhesion Forces between Hydrocarbon Surfaces in Condensed Phases using Molecular Contact Thermodynamics

Oscar Siles-Brugge, Christopher Hunter, Graham Leggett

Version 2 posted 10 April 2024

179

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