Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

Intermolecular Forces

Intermolecular Forces

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 bonds, and dispersion...

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

Electrolytes: van't Hoff Factor

Electrolytes: van't Hoff Factor

Colligative Properties of ElectrolytesThe colligative properties of a solution depend only on the number, not on the identity, of solute species dissolved. The concentration terms in the equations for various colligative properties (freezing point depression, boiling point elevation, osmotic pressure) pertain to all solute species present in the solution. Nonelectrolytes dissolve physically without dissociation or any other accompanying process. Each molecule that dissolves yields one dissolved...

Reaction Mechanisms: The Steady-State Approximation

Reaction Mechanisms: The Steady-State Approximation

The steady-state approximation, also referred to as the quasi-steady-state approximation to differentiate it from a true steady state, is a widely used method for simplifying calculations in complex reaction mechanisms. This approach is particularly useful when dealing with multi-step reactions that involve reverse reactions or several steps, which can significantly increase mathematical complexity and make the reactions nearly unsolvable analytically.The steady-state approximation operates on...

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

Woodward–Hoffmann Selection Rules and Microscopic Reversibility

Electrocyclic reactions, cycloadditions, and sigmatropic rearrangements are concerted pericyclic reactions that proceed via a cyclic transition state. These reactions are stereospecific and regioselective. The stereochemistry of the products depends on the symmetry characteristics of the interacting orbitals and the reaction conditions. Accordingly, pericyclic reactions are classified as either symmetry-allowed or symmetry-forbidden. Woodward and Hoffmann presented the selection criteria for...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

You might also read

Related Articles

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

Sort by

Same author

The effects of cluster-set resistance training on mental health and sleep quality in sedentary young women: protocol for a randomized controlled trial.

Frontiers in psychology·2026

Same author

YY1 Lactylation Elicits CARD9 Deficiency in Dendritic Cells Promoting Pancreatic Cancer Immune Escape.

International journal of biological sciences·2026

Same author

Kinetics of spontaneous residual shunt closure: a comparative analysis between two surgical procedures for perimembranous ventricular septal defect.

Journal of thoracic disease·2026

Same author

Design, synthesis, and evaluation of indole-pyridine chalcone derivatives as novel HK2 inhibitors to modulate macrophage glycolysis and inflammation for IBD treatment.

European journal of medicinal chemistry·2026

Same author

Islet regeneration protein Reg3g promotes macrophage clearance of β cell-derived dysfunctional mitochondria-rich vesicles to mitigate T2DM.

Redox biology·2026

Same author

Integrating machine learning algorithms and remote sensing for High-Resolution mapping of soil crusting in agricultural lands.

Scientific reports·2025

Search research articles

Related Experiment Video

Updated: Jun 6, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

A Sixth-order Image Approximation to the Ionic Solvent Induced Reaction Field.

Ming Xiang¹, Shaozhong Deng, Wei Cai

¹Department of Mathematics and Statistics, University of North Carolina at Charlotte, Charlotte, NC 28223-0001, USA.

Journal of Scientific Computing

|December 15, 2010

Summary

This summary is machine-generated.

This study introduces a sixth-order image approximation for calculating reaction fields of charges in dielectric spheres. This method improves accuracy and computational efficiency for molecular simulations.

More Related Videos

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F⁻

Published on: July 27, 2018

Related Experiment Videos

Last Updated: Jun 6, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization

Published on: August 22, 2025

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F−

Photoelectron Imaging of Anions Illustrated by 310 Nm Detachment of F⁻

Published on: July 27, 2018

Area of Science:

Computational Chemistry
Physical Chemistry
Molecular Modeling

Background:

Previous work introduced fourth-order image approximations for reaction fields.
These approximations used point and line charges to model the reaction field.
The dielectric sphere model is relevant for solvation studies.

Purpose of the Study:

To develop a higher-order (sixth-order) image approximation for reaction fields.
To implement this approximation for efficient potential and force field calculations.
To demonstrate the convergence rate and computational complexity of the new method.

Main Methods:

Developed a sixth-order image approximation using a point charge and three line charges.
Discretized line charges into point image charges.
Implemented the approximation with O(N) complexity for calculations.

Main Results:

Demonstrated a sixth-order convergence rate for the image approximation.
Achieved O(N) complexity for fast implementation of potential and force field calculations.
Validated the accuracy and efficiency of the developed method.

Conclusions:

The sixth-order image approximation offers improved accuracy over previous methods.
The O(N) implementation provides significant computational speed-up for molecular simulations.
This method is a valuable advancement for studying charged systems in dielectric media.