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The Energies of Atomic Orbitals03:21

The Energies of Atomic Orbitals

In an atom, the negatively charged electrons are attracted to the positively charged nucleus. In a multielectron atom, electron-electron repulsions are also observed. The attractive and repulsive forces are dependent on the distance between the particles, as well as the sign and magnitude of the charges on the individual particles. When the charges on the particles are opposite, they attract each other. If both particles have the same charge, they repel each other.
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An applied magnetic field causes loosely bound π-electrons in organic molecules to circulate, producing a local or induced diamagnetic field over a large spatial volume. As the molecules tumble in solution, the field generated by π-electrons in spherical substituents results in a zero net field. However, the net field generated by π-electrons in non-spherical substituents is not zero. The effect of this induced field depends on the orientation of the molecule with respect to B0, resulting in...
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An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.

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Correction: Capturing electronic substituent effect with effective atomic orbitals.

Gerard Comas-Vilà1, Pedro Salvador1

  • 1Institut de Química Computacional i Catàlisi, Departament de Química, Universitat de Girona, c/M Aurelia Capmany 69, 17003, Girona, Catalonia, Spain. pedro.salvador@udg.edu.

Physical Chemistry Chemical Physics : PCCP
|June 17, 2026
PubMed
Summary
This summary is machine-generated.

This correction clarifies the use of effective atomic orbitals for capturing electronic substituent effects in molecular systems. It ensures accurate representation of substituent influences on chemical properties.

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Quantum Chemistry

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