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

Force and Potential Energy in Three Dimensions01:04

Force and Potential Energy in Three Dimensions

5.4K
Consider a particle moving under the action of a conservative force that has components along each coordinate axis. Each component of force is a function of the coordinates. The potential energy function U is also a function of all three spatial coordinates. Force in one dimension can be written as the negative ratio of potential energy change to the displacement along that coordinate. For minimal displacement, the ratios become derivatives. If a function has many variables, the derivative only...
5.4K
Energy Diagrams - II01:10

Energy Diagrams - II

11.7K
Energy diagrams are important to understand the dynamics of a system. The topology of an energy diagram helps illustrate the equilibrium points of the system.
The point in the energy diagram at which the system’s potential energy is the lowest is known as the local minima. The system tends to stay in this position indefinitely unless acted upon by a net force. The slope of the potential energy diagram at the local minima is zero, indicating that zero net force is acting on the system. The...
11.7K
Force and Potential Energy in One Dimension01:13

Force and Potential Energy in One Dimension

6.2K
Force can be calculated from the expression for potential energy, which is a function of position. The component of a conservative force, in a particular direction, equals the negative of the derivative of the corresponding potential energy with respect to the displacement in that direction. For regions where potential energy changes rapidly with displacement, the work done and force is maximum. Also, when force is applied along the positive coordinate axis, the potential energy decreases with...
6.2K
Surface Tension and Surface Energy01:16

Surface Tension and Surface Energy

2.9K
When a paint brush is immersed in water, the bristles wave freely inside the water. When it is taken out, the bristles stick together. The reason behind this effect is surface tension.
Consider a beaker filled with liquid. The bulk molecules in the liquid experience equal attractive forces on all sides with the surrounding molecules. However, the surface molecules experience a net attractive force downward due to the bulk molecules. The surface of the liquid behaves like a stretched membrane,...
2.9K
Internal and External Forces01:12

Internal and External Forces

15.9K
Newton's first law states that a net external force causes a change in motion. External forces act on an object or system, originating outside of the object or system. In contrast, internal forces originate inside the system of interest and do not lead to any acceleration. In simpler words, internal forces are forces that act on one part of an object and are exerted by another part of the same object. External forces are forces that act on an object due to some other object. Therefore, when...
15.9K
Three-Dimensional Force System:Problem Solving01:30

Three-Dimensional Force System:Problem Solving

1.3K
A three-dimensional force system refers to a scenario in which three forces act simultaneously in three different directions. This type of problem is commonly encountered in physics and engineering, where it is necessary to calculate the resultant force on the system, which can then be used to predict or analyze the behavior of the object or structure under consideration.
To solve a three-dimensional force system, first resolve each force into its respective scalar components. Do this using...
1.3K

You might also read

Related Articles

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

Sort by
Same author

Aromaticity-Induced Spin State Switching and High-Spin States in Non-Alternant Polyradicals.

Journal of computational chemistry·2026
Same author

π-π Stacking Determines the Selectivity of Unnatural DNA Base Pairs Even without Polymerase.

ACS physical chemistry Au·2026
Same author

High-Spin Porphyrin Polyradicals.

ACS omega·2026
Same author

Controlling molecular machines <i>via</i> optimally oriented external electric fields.

Chemical science·2025
Same author

Leap from Diradicals to Tetraradicals by Topological Control of π-Conjugation.

The Journal of organic chemistry·2024
Same author

Pathway to Polyradicals: A Planar and Fully π-Conjugated Organic Tetraradical(oid).

The journal of physical chemistry letters·2024

Related Experiment Video

Updated: Jan 3, 2026

Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy
10:37

Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy

Published on: March 16, 2020

10.1K

Comment on "Exploring Potential Energy Surface with External Forces".

Wolfgang Quapp1, Josep Maria Bofill2

  • 1Mathematisches Institut , Universität Leipzig , PF 100920, D-04009 Leipzig , Germany.

Journal of Chemical Theory and Computation
|November 15, 2019
PubMed
Summary
This summary is machine-generated.

This study theoretically examines the standard and enforced geometry optimization (SEGO) method for finding minimums on potential energy surfaces. We reveal that SEGO paths can be better understood to navigate reaction pathways, uncovering potential weaknesses.

More Related Videos

Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

3.9K
Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

12.2K

Related Experiment Videos

Last Updated: Jan 3, 2026

Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy
10:37

Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy

Published on: March 16, 2020

10.1K
Finite Element Modelling of a Cellular Electric Microenvironment
08:23

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

3.9K
Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
13:58

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics

Published on: September 28, 2016

12.2K

Area of Science:

  • Computational chemistry
  • Theoretical chemistry
  • Chemical physics

Background:

  • The standard and enforced geometry optimization (SEGO) method was recently proposed to locate minima on potential energy surfaces.
  • Current understanding of SEGO may not fully account for the barrier breakdown point, typically found mid-path.

Purpose of the Study:

  • To provide a theoretical analysis of the SEGO method.
  • To enhance the understanding of SEGO pathways for navigating chemical reaction landscapes.
  • To identify limitations of the SEGO ansatz.

Main Methods:

  • Theoretical investigation of the SEGO method.
  • Calculation of full SEGO pathways on the two-dimensional MB test surface.

Main Results:

  • A refined understanding of SEGO pathways allows for tracing reaction pathways between minima and saddle points.
  • Analysis on the MB test surface demonstrates the practical application of SEGO pathway calculations.
  • Specific SEGO curves can highlight inherent weaknesses in the SEGO method's assumptions.

Conclusions:

  • The SEGO method is a valuable tool for exploring potential energy surfaces.
  • A deeper theoretical insight into SEGO pathways improves its utility in chemical reaction path following.
  • Further investigation into SEGO pathways can lead to method refinement and broader applicability.