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Related Concept Videos

Molecular Shapes01:18

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.Two regions of electron density in a diatomic...
Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

Overview of Molecular Orbital Theory
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
Hückel's Rule Diagram of π MOs: Frost Circle01:08

Hückel's Rule Diagram of π MOs: Frost Circle

The Frost circle or the inscribed polygon method is a graphical method for determining the relative energies of π molecular orbitals (MOs) for planar, fully conjugated, and monocyclic compounds. This method was first described by A. A. Frost and Boris Musulin in 1953.
A Frost circle is constructed by drawing a polygon whose number of edges is equal to the number of carbons of the given cyclic system, with one of the vertices pointing down. Then, a circle is drawn enclosing the polygon so that...

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Related Experiment Video

Updated: Jun 16, 2026

Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization
08:03

Scalable Nanohelices for Predictive Studies and Enhanced 3D Visualization

Published on: November 12, 2014

Elements and roadmap for interactive molecular graphics and modeling "in the Holodeck".

Adrian J Mulholland1, Luciano A Abriata2

  • 1Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol, UK.

Protein Science : a Publication of the Protein Society
|January 20, 2026
PubMed
Summary

The next frontier in molecular science is intuitive 3D manipulation, moving beyond passive viewing. Immersive environments will transform research and education through natural interaction and collaboration.

Keywords:
AI agentsWebXRartificial intelligenceaugmented reality (AR)collaborationextended reality (XR)human‐computer interactioninteractive molecular dynamicslarge language modelsmixed realitymolecular graphicsmolecular manipulationmolecular modelingmulti‐modal interactionprotein sciencestructural biologyvirtual reality (VR)

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Last Updated: Jun 16, 2026

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Area of Science:

  • Chemistry
  • Drug Discovery
  • Materials Science
  • Structural Biology

Background:

  • Molecular graphics have significantly advanced scientific fields.
  • Current visualization methods are effective but limited by 2D interfaces for complex 3D tasks.

Purpose of the Study:

  • To argue that the next major advancement in molecular science lies in intuitive, immersive, direct 3D manipulation.
  • To explore the potential of "Molecular Holodeck" environments for research and education.

Main Methods:

  • Discussing current prototypes and software solutions enabling immersive molecular interaction.
  • Reviewing multi-modal inputs (hands, haptics, voice, AI) and collaborative features.
  • Outlining necessary developments and challenges for realizing immersive molecular science.

Main Results:

  • The vision of immersive molecular science environments is starting to be realized.
  • Existing technologies can form the basis for these advanced environments.
  • Prototypes and software demonstrating elements of this vision are available.

Conclusions:

  • The shift to hands-on, multi-user, immersive manipulation will revolutionize hypothesis generation, molecular design, and understanding.
  • These advancements promise to transform collaborative work, discussions, research, and education in chemical sciences.
  • Overcoming technical and practical challenges is key to achieving the full potential of immersive molecular science.