Jove
Visualize
Contact Us

Related Concept Videos

Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

26.3K
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...
26.3K
Fischer Projections02:18

Fischer Projections

13.1K
Learning to draw Fischer projections of molecules and understanding their relevance plays a crucial role in the visual depiction of organic molecules. A Fischer projection is a two-dimensional projection on a planar surface to simplify the three-dimensional wedge–dash representation of molecules. This is especially helpful in the case of molecules with multiple chiral centers that can be difficult to draw. Here, all the bonds of interest are represented as horizontal or vertical lines.
13.1K

You might also read

Related Articles

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

Sort by
Same author

Phase behavior of a machine-learning potential trained on stress-strain curves: The case of superionic water ice.

The Journal of chemical physics·2025
Same author

Melting conditions and entropies of superionic water ice: Free-energy calculations based on hybrid solid/liquid reference systems.

The Journal of chemical physics·2023
Same author

Plastic deformation of superionic water ices.

Proceedings of the National Academy of Sciences of the United States of America·2022
Same author

Is It Possible to Follow the Structural Evolution of Water in "No-Man's Land" Using a Pulsed-Heating Procedure?

The journal of physical chemistry letters·2022
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026
Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026
Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026
Same journal

Time reversal breaking of colloidal particles in cells.

The Journal of chemical physics·2026
See all related articles
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 Experiment Video

Updated: Jun 17, 2025

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
08:46

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

Published on: January 15, 2014

9.1K

Generating proton-disordered ice configurations using orientational simulated annealing.

Vitor Fidalgo Cândido1, Roberto Gomes de Aguiar Veiga2, Maurice de Koning1,3

  • 1Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, UNICAMP, 13083-859 Campinas, São Paulo, Brazil.

The Journal of Chemical Physics
|August 8, 2024
PubMed
Summary
This summary is machine-generated.

We developed a simulated annealing algorithm to create proton-disordered ice cells. This method effectively maximizes hydrogen bond connectivity in various ice structures, offering an alternative to topology-based approaches.

More Related Videos

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
05:56

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on: October 13, 2022

1.3K
X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050
11:27

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

Published on: May 13, 2020

3.9K

Related Experiment Videos

Last Updated: Jun 17, 2025

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
08:46

Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity

Published on: January 15, 2014

9.1K
Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches
05:56

Exploring Caspase Mutations and Post-Translational Modification by Molecular Modeling Approaches

Published on: October 13, 2022

1.3K
X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050
11:27

X-Ray Crystallography to Study the Oligomeric State Transition of the Thermotoga maritima M42 Aminopeptidase TmPep1050

Published on: May 13, 2020

3.9K

Area of Science:

  • Materials Science
  • Computational Chemistry
  • Crystallography

Background:

  • Proton disorder in ice is crucial for its physical and chemical properties.
  • Existing methods for creating proton-disordered ice models have limitations.
  • Accurate modeling of ice structures is essential for understanding water's behavior.

Purpose of the Study:

  • To introduce and validate a novel simulated annealing (SA) algorithm for generating proton-disordered ice cells.
  • To assess the effectiveness of the SA scheme in achieving maximal hydrogen bond (HB) connectivity.
  • To provide an alternative computational method for ice structure generation.

Main Methods:

  • A simulated annealing (SA) scheme was employed to optimize molecular orientations.
  • The algorithm was applied to defect-free ice Ih, a clathrate-hydrate structure, and a random polycrystalline ice Ih sample.
  • Cooling simulations were performed to achieve desired ice configurations.

Main Results:

  • The SA technique proved effective in creating proton-disordered ice cells.
  • Maximum hydrogen bond (HB) connectivity was attained efficiently.
  • The method required relatively short cooling simulation times.

Conclusions:

  • The developed SA algorithm is a viable and efficient method for generating proton-disordered ice structures.
  • This approach offers a valuable alternative to topology-based methods, especially when they are inhibited.
  • The SA technique facilitates the study of ice properties influenced by proton disorder.