Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Molecular Orbital Theory II03:51

Molecular Orbital Theory II

28.4K
Molecular Orbital Energy Diagrams
28.4K
Valence Bond Theory and Hybridized Orbitals02:38

Valence Bond Theory and Hybridized Orbitals

33.0K
According to valence bond theory, a covalent bond results when: (1) an orbital on one atom overlaps an orbital on a second atom, and (2) the single electrons in each orbital combine to form an electron pair. The strength of a covalent bond depends on the extent of overlap of the orbitals involved. Maximum overlap is possible when the orbitals overlap on a direct line between the two nuclei.
A σ bond (single bond in a Lewis structure) is a covalent bond in which the electron density is...
33.0K
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

14.8K
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
14.8K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

49.2K
Overview of Molecular Orbital Theory
49.2K
Valence Bond Theory02:45

Valence Bond Theory

51.5K
Overview of Valence Bond Theory
51.5K
Valence Bond Theory02:42

Valence Bond Theory

11.7K
Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
11.7K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Efficient Coupled-Cluster Python Frameworks for Next-Generation GPUs: A Comparative Study of CuPy and PyTorch on the Hopper and Grace Hopper Architecture.

Journal of chemical theory and computation·2026
Same author

After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective.

Journal of chemical theory and computation·2026
Same author

Analytic gradients and geometry optimization for orbital-optimized pair coupled cluster doubles.

The Journal of chemical physics·2026
Same author

Frontier Orbital Engineering in Heteroatom-Doped Prototypical Organic Dyes for Dye-Sensitized Solar Cells.

The journal of physical chemistry. A·2026
Same author

A Flexible, Automated, and Basis-Set-Insensitive Domain-Based Charge-Transfer Decomposition for Correlated Wave Functions and Its Application to Inter- and Intramolecular Cases.

The journal of physical chemistry letters·2026
Same author

Neural Quantum States Based on Selected Configurations.

The journal of physical chemistry letters·2026

Related Experiment Video

Updated: Mar 30, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

69.8K

Orbital Entanglement in Bond-Formation Processes.

Katharina Boguslawski1, Paweł Tecmer1, Gergely Barcza2

  • 1ETH Zürich , Laboratory of Physical Chemistry, Wolfgang-Pauli-Str. 10, CH-8093 Zürich, Switzerland.

Journal of Chemical Theory and Computation
|November 20, 2015
PubMed
Summary
This summary is machine-generated.

Entanglement measures accurately assess electron correlation in chemical bonds. This quantum information approach aids in understanding bond formation and dissociation in molecules.

More Related Videos

Molecular Entanglement and Electrospinnability of Biopolymers
07:59

Molecular Entanglement and Electrospinnability of Biopolymers

Published on: September 3, 2014

15.2K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

9.1K

Related Experiment Videos

Last Updated: Mar 30, 2026

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

69.8K
Molecular Entanglement and Electrospinnability of Biopolymers
07:59

Molecular Entanglement and Electrospinnability of Biopolymers

Published on: September 3, 2014

15.2K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

9.1K

Area of Science:

  • Quantum Chemistry
  • Quantum Information Theory

Background:

  • Accurate calculation of correlation energy is crucial for understanding chemical bonds.
  • Diagnostic tools are needed to evaluate quantum chemical methods for bond processes.

Purpose of the Study:

  • To demonstrate that orbital-based entanglement measures can quantitatively assess electron correlation.
  • To classify electron correlation effects using quantum information theory.

Main Methods:

  • Utilizing one- and two-orbital entanglement measures.
  • Analyzing the dissociation behavior of diatomic molecules.

Main Results:

  • Entanglement measures provide a quantitative assessment of electron correlation.
  • The method successfully dissects various correlation effects relevant to chemical bonding.

Conclusions:

  • Orbital entanglement analysis offers a powerful tool for understanding bond dynamics.
  • This approach bridges quantum chemistry and quantum information theory for chemical insights.