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

Atomic Radii and Effective Nuclear Charge03:08

Atomic Radii and Effective Nuclear Charge

61.8K
The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
61.8K
Formal Charges02:42

Formal Charges

40.2K
In some cases, there are seemingly more than one valid Lewis structures for molecules and polyatomic ions. The concept of formal charges can be used to help predict the most appropriate Lewis structure when more than one reasonable structure exists.
40.2K
Ions and Ionic Charges03:27

Ions and Ionic Charges

78.8K
In ordinary chemical reactions, the nucleus — which contains the protons and neutrons of each atom and thus identifies the element — remains unchanged. Electrons, however, can be added to atoms by transfer from other atoms, lost by transfer to other atoms, or shared with other atoms. The transfer and sharing of electrons among atoms govern the chemistry of the elements. During the formation of some compounds, atoms gain or lose electrons to form electrically charged particles called...
78.8K
Electric Charges01:11

Electric Charges

22.3K
From lightning during thunderstorms to electronic devices, the phenomenon of electromagnetism is all around us. The electromagnetic force is one of the four fundamental forces of nature. It has been known to humanity in various forms for thousands of years. For example, the ancient Greek philosopher Thales of Miletus recorded his experiments on static electricity using amber and fur in the sixth century BC.
The English physicist William Gilbert studied the phenomenon of static electricity in...
22.3K
Charge on a Conductor01:26

Charge on a Conductor

5.3K
An interesting property of a conductor in static equilibrium is that extra charges on the conductor end up on its outer surface, regardless of where they originate. Consider a hollow metallic conductor with a uniform surface charge density. Since the conductor itself is in electrostatic equilibrium, there should not be any electric field inside the conductor. Now, assume a Gaussian surface enclosing the hollow portion. Applying Gauss's law, the inner surface of the hollow conductor will not...
5.3K
Charge and Current01:14

Charge and Current

5.3K
Electric charge is the most fundamental quantity in an electric circuit. The effects of electric charge are encountered daily, such as when a wool sweater sticks to the human body or when a person receives a shock while walking on a carpet.
Charge is an inherent property of the atomic particles that make up matter and is measured in units called coulombs (C). Matter is composed of atoms, each consisting of electrons, protons, and neutrons. Electrons have a negative charge (-e), while protons...
5.3K

You might also read

Related Articles

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

Sort by
Same author

Perspective of Fermi's golden rule and its generalizations in chemical physics.

The Journal of chemical physics·2026
Same author

Minimization of Disorder as a Key Design Principle for Natural Sizes of Light Harvesting 2 Complexes.

The journal of physical chemistry letters·2026
Same author

Determining the Optimal Heparin Binding Domain Distance in VEGF<sub>165</sub> Using Umbrella Sampling Simulations for Optimal Dimeric Aptamer Design.

International journal of molecular sciences·2026
Same author

Effect of Perturbative Vibronic Correction for Spin-Orbit Coupling in Hot Exciton OLED Systems.

The journal of physical chemistry. A·2026
Same author

Hidden Effects of Anharmonic Bath on the Excitation Energy Transfer in the Light Harvesting 2 Complex of Purple Bacteria.

The journal of physical chemistry letters·2025
Same author

VeloxChem Quantum-Classical Interoperability for Modeling of Complex Molecular Systems.

The journal of physical chemistry. A·2025
Same journal

Advancing Biochemical Molecule Registration, Representation and Search for New Drug Modalities.

Journal of chemical information and modeling·2026
Same journal

A Unified Molecular Graph and Protein Language Model Framework for Predicting Human Drug-Hormone Receptor Interactions with Structure-Aware Validation.

Journal of chemical information and modeling·2026
Same journal

Intricate Role of Cholesterol in Membrane Fusion.

Journal of chemical information and modeling·2026
Same journal

tmGNN-XAI: An Explainable Graph Neural Network Tool for Predicting Electronic Properties of Transition Metal Complexes from SMILES.

Journal of chemical information and modeling·2026
Same journal

QSAR in the Browser: An Interactive Cheminformatics Web Application.

Journal of chemical information and modeling·2026
Same journal

FoldDoF: Utilizing the Primary Degrees of Freedom of Protein Backbone for Geometric Modeling and Generation.

Journal of chemical information and modeling·2026
See all related articles

Related Experiment Video

Updated: Jan 24, 2026

Hydrogen Charging of Aluminum using Friction in Water
07:50

Hydrogen Charging of Aluminum using Friction in Water

Published on: January 28, 2020

6.5K

Modeling Charge Flux by Interpolating Atomic Partial Charges.

Seung Soo Kim1, Young Min Rhee2

  • 1Department of Chemistry , Pohang University of Science and Technology (POSTECH) , Pohang 37673 , Korea.

Journal of Chemical Information and Modeling
|May 25, 2019
PubMed
Summary
This summary is machine-generated.

A new charge interpolation scheme accurately represents charge flux, improving molecular dipole moment calculations in gas-phase anionic GFP chromophores. Further refinements are needed for condensed-phase solvation energy accuracy.

More Related Videos

Experimental Methods of Dust Charging and Mobilization on Surfaces with Exposure to Ultraviolet Radiation or Plasmas
07:54

Experimental Methods of Dust Charging and Mobilization on Surfaces with Exposure to Ultraviolet Radiation or Plasmas

Published on: April 3, 2018

8.7K
The Effect of Charging and Discharging Lithium Iron Phosphate-graphite Cells at Different Temperatures on Degradation
10:41

The Effect of Charging and Discharging Lithium Iron Phosphate-graphite Cells at Different Temperatures on Degradation

Published on: July 18, 2018

16.1K

Related Experiment Videos

Last Updated: Jan 24, 2026

Hydrogen Charging of Aluminum using Friction in Water
07:50

Hydrogen Charging of Aluminum using Friction in Water

Published on: January 28, 2020

6.5K
Experimental Methods of Dust Charging and Mobilization on Surfaces with Exposure to Ultraviolet Radiation or Plasmas
07:54

Experimental Methods of Dust Charging and Mobilization on Surfaces with Exposure to Ultraviolet Radiation or Plasmas

Published on: April 3, 2018

8.7K
The Effect of Charging and Discharging Lithium Iron Phosphate-graphite Cells at Different Temperatures on Degradation
10:41

The Effect of Charging and Discharging Lithium Iron Phosphate-graphite Cells at Different Temperatures on Degradation

Published on: July 18, 2018

16.1K

Area of Science:

  • Computational Chemistry
  • Theoretical Chemistry
  • Quantum Chemistry

Background:

  • The charge flux effect and geometric dependence of atomic partial charges are long-standing challenges in computational chemistry.
  • Existing methods for handling these effects lack established, effective approaches.

Purpose of the Study:

  • To introduce a novel charge interpolation scheme for analytically representing charge flux.
  • To assess the accuracy of this scheme for molecular dipole moments and solvation energies.

Main Methods:

  • Development and application of a new charge interpolation scheme.
  • Calculation of geometry-dependent molecular dipole moments for the anionic GFP chromophore in the gas phase.
  • Evaluation of the electrostatic term in solvation energy for aqueous environments.

Main Results:

  • The charge interpolation scheme significantly improves the accuracy of gas-phase dipole moment calculations.
  • The scheme shows improvement for aqueous solvation energy, though limitations exist.
  • Introducing atomic polarizabilities largely corrects remaining errors in condensed-phase calculations.

Conclusions:

  • Charge interpolation is a viable method for describing the charge flux effect.
  • Accurate condensed-phase calculations require integrating charge interpolation with polarization effects.