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Related Concept Videos

Van der Waals Interactions01:24

Van der Waals Interactions

Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.Polar molecules have a partial positive charge on one end and a partial negative charge on the other end of the molecule,...
Intermolecular Forces03:13

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...
Intermolecular Forces03:13

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...
Intermolecular Forces and Physical Properties02:56

Intermolecular Forces and Physical Properties

Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility02:34

Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility

Intermolecular forces are attractive forces that exist between molecules. They dictate several bulk properties, such as melting points, boiling points, and solubilities (miscibilities) of substances. Molar mass, molecular shape, and polarity affect the strength of different intermolecular forces, which influence the magnitude of physical properties across a family of molecules.
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
Intermolecular Forces in Solutions02:28

Intermolecular Forces in Solutions

The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...

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Related Experiment Video

Updated: Jun 3, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Dispersion interaction in hydrogen-chain models.

Ru-Fen Liu1, János G Ángyán, John F Dobson

  • 1CRM2, Institut Jean Barriol, Nancy University and CNRS, 54506 Vandoeuvre-lès-Nancy, France. ru-fen.liu@crm2.uhp-nancy.fr

The Journal of Chemical Physics
|March 25, 2011
PubMed
Summary
This summary is machine-generated.

We studied dispersion interactions in hydrogen chains using advanced computational methods. The additivity principle for interaction energy fails in quasimetallic chains but holds for insulating chains.

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Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

Area of Science:

  • Computational chemistry
  • Condensed matter physics
  • Quantum chemistry

Background:

  • Dispersion interactions are crucial for understanding molecular and material properties.
  • Hydrogen chains serve as fundamental models for studying electronic and structural behaviors.
  • Previous studies have explored these interactions using various theoretical approaches.

Purpose of the Study:

  • To investigate the dispersion interaction energy in hydrogen chain models.
  • To analyze the dependence of dispersion energy on chain length and geometry.
  • To compare results with continuum coupled-plasmon models and assess the additivity principle.

Main Methods:

  • Density functional theory-based symmetry-adapted perturbation theory (DFT-SAPT).
  • Utilizing the asymptotically corrected PBE0 energy functional.
  • Modeling quasimetallic (equally spaced H2) and insulating (alternately spaced H2) hydrogen chains.

Main Results:

  • Dispersion energy dependence on chain length was determined for pointing and parallel geometries.
  • Results were compared with continuum coupled-plasmon calculations.
  • The additivity principle failed for quasimetallic chains but was qualitatively reasonable for insulating chains.

Conclusions:

  • The study provides insights into the nature of dispersion forces in extended systems.
  • The findings highlight the limitations of the additivity principle in quasimetallic systems.
  • Computational chemistry methods accurately model complex interactions in simplified models.