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Van der Waals Interactions01:24

Van der Waals Interactions

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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.
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Intermolecular Forces03:13

Intermolecular Forces

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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...
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Van der Waals Equation01:10

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The ideal gas law is an approximation that works well at high temperatures and low pressures. The van der Waals equation of state (named after the Dutch physicist Johannes van der Waals, 1837−1923) improves it by considering two factors.
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An electric dipole is a system of two equal but opposite charges, separated by a fixed distance. This system is used to model many real-world systems, including atomic and molecular interactions. One of these systems is the water molecule, but only under certain circumstances. These circumstances are met inside a microwave oven, where electric fields with alternating directions make the water molecules change orientation. This vibration is equivalent to heat at the molecular level.
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Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws.
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Spatial Separation of Molecular Conformers and Clusters
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van der Waals potential: an important complement to molecular electrostatic potential in studying intermolecular

Tian Lu1, Qinxue Chen2

  • 1Beijing Kein Research Center for Natural Sciences, Beijing, 100022, People's Republic of China. sobereva@sina.com.

Journal of Molecular Modeling
|October 24, 2020
PubMed
Summary

This study highlights the importance of van der Waals (vdW) potential in understanding weak interactions, a factor often overlooked compared to electrostatic potential. The authors provide methods and examples to encourage wider use of vdW potential in research.

Keywords:
AdsorptionCyclo[18]carbonElectrostatic potentialIntermolecular interactionMultiwfnVvan der Waals

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Area of Science:

  • Chemistry
  • Computational Chemistry
  • Molecular Interactions

Background:

  • Intermolecular weak interactions are crucial in chemistry and biology.
  • Electrostatic potential is widely used to study these interactions.
  • Van der Waals (vdW) potential's role in weak interactions is often underestimated and ignored.

Purpose of the Study:

  • To define and explain the implementation of van der Waals (vdW) potential.
  • To demonstrate the practical significance of vdW potential through examples.
  • To encourage broader research attention and application of vdW potential in weak interaction studies.

Main Methods:

  • Explicitly defining the van der Waals (vdW) potential.
  • Describing the implementation details of vdW potential calculations.
  • Utilizing the freely available Multiwfn code for calculation, visualization, and analysis.

Main Results:

  • The paper provides a clear definition and implementation guide for vdW potential.
  • Several examples illustrate the practical value and importance of vdW potential.
  • The study validates the utility of vdW potential in analyzing weak interactions.

Conclusions:

  • Van der Waals (vdW) potential is a significant, yet underutilized, component of intermolecular forces.
  • The provided methods and examples facilitate the application of vdW potential in research.
  • Increased focus on vdW potential can advance the understanding of weak interactions.