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 Experiment Videos

Integrated spatial electron populations in molecules: The electron projection function.

A Streitwieser1, J B Collins, J M McKelvey

  • 1Department of Chemistry, University of California, Berkeley, California, 94720.

Proceedings of the National Academy of Sciences of the United States of America
|June 1, 1979
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Evaluating beta-tubulin variants as predictors of benzimidazole resistance across Caenorhabditis nematodes.

PLoS pathogens·2026
Same author

Methods for single-pair <i>Ascaridia galli</i> genetic crosses.

microPublication biology·2026
Same author

Natural variation suggests candidate genes underlying Caenorhabditis elegans susceptibility to diverse toxicants.

Toxicological sciences : an official journal of the Society of Toxicology·2026
Same author

Natural variation suggests candidate genes underlying <i>Caenorhabditis elegans</i> susceptibility to diverse toxicants.

bioRxiv : the preprint server for biology·2025
Same author

Wild strains reveal natural variation in C. elegans avoidance behaviors.

G3 (Bethesda, Md.)·2025
Same author

A small-scale survey of fenbendazole resistance in Ascaridia galli and Heterakis gallinarum, two common ascarid parasites of poultry.

Poultry science·2025
Same journal

The TaMYB55-TaSnRK1α1-TabZIP9 module confers heat stress tolerance in wheat.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same journal

Superstatistics approach to turbulent circulation fluctuations.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same journal

A molecular timescale for evolution of cobamide biosynthesis.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same journal

Pierre Chambon, a pioneer of molecular biology and gene regulation in eukaryotes.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same journal

Granulosa cell glycogen fuels the avascular corpus luteum.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same journal

Synthetic essentiality of TRAIL/TNFSF10 in VHL-deficient renal cell carcinoma.

Proceedings of the National Academy of Sciences of the United States of America·2026
See all related articles

A novel projection function visualizes molecular electron density in 3D, aiding chemical analysis. This method allows for calculating electron populations in specific molecular regions.

Area of Science:

  • Computational Chemistry
  • Quantum Chemistry
  • Molecular Modeling

Background:

  • Understanding molecular electron density is crucial for predicting chemical behavior.
  • Existing methods for visualizing electron distribution can be complex.
  • A need exists for intuitive and quantitative methods to analyze molecular electron density.

Purpose of the Study:

  • To introduce a "projection function" for representing molecular electron density.
  • To demonstrate the utility of this function for chemical analysis and electron population calculations.
  • To apply the projection function to a specific molecule, acetaldehyde.

Main Methods:

  • Defining the projection function P(x,z) as a partial integral of molecular electron density rho(x,y,z).

Related Experiment Videos

  • Utilizing graphical displays (perspective plot, contour format) for visualization.
  • Employing numerical integration to determine integrated spatial electron populations.

    • Main Results:

    • The projection function provides a 3D representation of molecular electron distributions.
    • Graphical displays reveal chemically useful information.
    • Numerical integration allows for quantitative analysis of electron populations.

    Conclusions:

    • The projection function is a valuable tool for visualizing and analyzing molecular electron density.
    • This method offers both qualitative and quantitative insights into molecular structure and bonding.
    • The application to acetaldehyde demonstrates the practical utility of the projection function.