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

Continuous Charge Distributions01:17

Continuous Charge Distributions

Imagine a bucket of water. It contains many molecules, of the order of 1026 molecules. Thus, although it contains discrete elements (molecules) at the microscopic level, macroscopically, it can be considered continuous. Small volume elements of water, infinitesimal compared to the bulk of the bucket's volume, still contain many molecules. Under this framework, quantized matter is approximated as continuous for practical purposes.
The electric charge can also be subjected to an analogical...
The Electrical Double Layer01:30

The Electrical Double Layer

In the region where two bulk phases meet, an intricate electric charge distribution arises due to charge transfer, ion adsorption, molecular orientation, and charge distortion. This complex distribution is commonly referred to as the electrical double layer.When a solid electrode interfaces with ions in an electrolyte solution, the speed of electron transfer dictates the rates of oxidation and reduction. The electrode acquires a charge through the escape of atoms into the solution as cations or...
Extraction: Partition and Distribution Coefficients01:14

Extraction: Partition and Distribution Coefficients

The distribution law or Nernst's distribution law is the law that governs the distribution of a solute between two immiscible solvents. This law, also known as the partition law, states that if a solute is added to the mixture of two immiscible solvents at a constant temperature, the solute is distributed between the two solvents in such a way that the ratio of solute concentrations in the solvents remains constant at equilibrium.
For extracting a solute from an aqueous phase into an organic...
Current Dividers01:10

Current Dividers

In parallel electrical connections, resistors are linked between the same pair of nodes, creating an equal voltage across each resistor. Kirchhoff's current law is applied to these connections, establishing that the sum of currents through these resistors equals the source current. Utilizing Ohm's law, the source current is determined as the product of the source voltage and the sum of the reciprocals of individual resistances. This relationship simplifies the process of finding the current...
Energy Associated With a Charge Distribution01:21

Energy Associated With a Charge Distribution

The work done to bring a charge through a distance r is given by the potential difference between the initial and the final position. To assemble a collection of point charges, the total work done can be expressed in terms of the product of each pair of charges divided by their separation distance, defined with respect to a suitable origin. Solving this expression gives the energy stored in a point charge distribution.
Electrical Systems01:21

Electrical Systems

In electrical engineering, the analysis of networks composed of passive linear components — resistors (R), capacitors (C), and inductors (L) — is fundamental. These components are organized into circuits where the relationship between input and output can be analyzed using transfer functions. The transfer function of an RLC circuit, which relates the voltage across a capacitor to the input voltage, can be derived using Kirchhoff's laws.
To derive the transfer function, consider an RLC circuit...

You might also read

Related Articles

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

Sort by
Same author

fix pimd/langevin: An efficient implementation of path integral molecular dynamics in LAMMPS.

The Journal of chemical physics·2026
Same author

Approximate Normalizations for Approximate Density Functionals.

Physical review letters·2026
Same author

Spectral Similarity Masks Structural Diversity at Hydrophobic Water Interfaces.

Physical review letters·2026
Same author

Ab Initio Bulk Free Energy Surface of Proper Ferroelectrics.

Physical review letters·2026
Same author

Analyzing density-driven errors: Principles and pitfalls.

The Journal of chemical physics·2026
Same author

Infrared spectral signatures of interfacial water at TiO2-electrolyte interfaces from deep potential molecular dynamics.

The Journal of chemical physics·2025
Same journal

Modeling the Clustering of Fumaric/Maleic Acid with Water and Na<sup>+</sup>, Cl<sup>-</sup> Ions.

The journal of physical chemistry. A·2026
Same journal

Determining Binding Energies of Key Fluorinated Refrigerants 1,1,1,2-Tetrafluoroethane, 2,3,3,3-Tetrafluoropropene, and 3,3,3-Trifluoropropene.

The journal of physical chemistry. A·2026
Same journal

Kinetic and Mechanistic Insights into H-Abstraction and Subsequent Isomerization and Decomposition of Monoglyme and Key Combustion Intermediates.

The journal of physical chemistry. A·2026
Same journal

First-Principles Analysis of Protonation-Induced Electronic Effects in Tetrakis(<i>p</i>-aminophenyl)porphyrin (TAPP).

The journal of physical chemistry. A·2026
Same journal

Exploring the Reactivity of the CH Radical toward Nitrous Oxide in the Context of the Interstellar Medium.

The journal of physical chemistry. A·2026
Same journal

Infrared Photodissociation Spectroscopy of Benzene-V<sup>+</sup>(CO)<sub>n</sub> "Piano Stool" Cations.

The journal of physical chemistry. A·2026
See all related articles

Related Experiment Video

Updated: Jun 25, 2026

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

Charge transfer in partition theory.

Morrel H Cohen1, Adam Wasserman, Roberto Car

  • 1Department of Physics and Astronomy, Rutgers University, 126 Frelinghuysen Road, Piscataway, New Jersey 08854, USA.

The Journal of Physical Chemistry. A
|February 14, 2009
PubMed
Summary
This summary is machine-generated.

Partition theory (PT) provides a clear definition of molecular fragment charges. This method aids in understanding charge redistribution during dissociation and its impact on molecular properties like dipole moments.

Related Experiment Videos

Last Updated: Jun 25, 2026

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform
05:39

Scalable Quantum Integrated Circuits on Superconducting Two-Dimensional Electron Gas Platform

Published on: August 2, 2019

Area of Science:

  • Quantum Chemistry
  • Theoretical Chemistry
  • Computational Chemistry

Background:

  • Partition theory (PT) offers a novel framework for analyzing molecular systems.
  • Understanding charge distribution and transfer is crucial in chemical reactions and molecular properties.

Purpose of the Study:

  • To illustrate the application of partition theory (PT) on a simplified one-dimensional heteronuclear diatomic molecule (1DAB).
  • To investigate charge redistribution during molecular dissociation and its effect on dipole moments.
  • To explore electron localization and part transferability within a chemical context.

Main Methods:

  • Application of partition theory (PT) to a 1D model of a heteronuclear diatomic molecule.
  • Population analysis to study charge redistribution during dissociation.
  • Analysis of ionization potentials to understand environmental effects and electron localization.
  • Investigation of part shape preservation to assess transferability.

Main Results:

  • PT yields a precise definition for the charge of molecular fragments.
  • Charge redistribution during dissociation and its influence on dipole moments are elucidated.
  • Insights into electron localization in H2(+) during dissociation are gained by considering environmental inhomogeneities.
  • Good transferability of molecular parts is observed within chemically relevant parameter ranges.

Conclusions:

  • Partition theory (PT) provides a robust method for defining fragment charges and analyzing charge redistribution.
  • The theory offers valuable insights into electron localization and molecular dissociation.
  • The observed transferability of parts suggests potential utility of PT in broader chemical applications.