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

Molecular Orbital Theory I02:35

Molecular Orbital Theory I

39.6K
Overview of Molecular Orbital Theory
39.6K
Molecular Shapes01:18

Molecular Shapes

53.5K
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...
53.5K
Molecular Models02:00

Molecular Models

37.4K
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.
37.4K
MO Theory and Covalent Bonding02:40

MO Theory and Covalent Bonding

11.2K
The molecular orbital theory describes the distribution of electrons in molecules in a manner similar to the distribution of electrons in atomic orbitals. The region of space in which a valence electron in a molecule is likely to be found is called a molecular orbital. Mathematically, the linear combination of atomic orbitals (LCAO) generates molecular orbitals. Combinations of in-phase atomic orbital wave functions result in regions with a high probability of electron density, while...
11.2K
Molecular Orbital Theory II03:51

Molecular Orbital Theory II

21.6K
Molecular Orbital Energy Diagrams
21.6K
Structure of Benzene: Molecular Orbital Model01:18

Structure of Benzene: Molecular Orbital Model

11.4K
According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).
11.4K

You might also read

Related Articles

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

Sort by
Same author

Sustainable AFM-Based Nanolithography on Chitosan Thin Films for 2.5D and 3D Nanostructure Fabrication.

Nanomaterials (Basel, Switzerland)·2026
Same author

On-Water Surface Synthesis of 2D Conjugated Metal-Organic Framework Films With Controllable Layer Orientation Enabling High-Performance Chemiresistive Sensing.

Advanced materials (Deerfield Beach, Fla.)·2026
Same author

Towards the design of artificial sensing materials via quantum-informed explainable AI.

Journal of cheminformatics·2026
Same author

Ultrasensitive Label-Free Detection of Free Thyroxine (T4) in Physiological Ranges Using Aptamer-Functionalized Silicon Nanowire Field Effect Transistors.

Biosensors·2026
Same author

On-demand linkage cleavage in two-dimensional conjugated metal-organic frameworks for closed-loop recyclable electronics.

Science advances·2026
Same author

Machine-Learned Electrostatic Potentials for Accurate Hydration Free Energy Calculations.

Journal of chemical theory and computation·2026

Related Experiment Video

Updated: Apr 26, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

2.5K

Structural distortions in molecular-based quantum cellular automata: a minimal model based study.

Alejandro Santana Bonilla1, Rafael Gutierrez, Leonardo Medrano Sandonas

  • 1Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology, 01062 Dresden, Germany. rafael.gutierrez@tu-dresden.de.

Physical Chemistry Chemical Physics : PCCP
|July 18, 2014
PubMed
Summary

Structural distortions in molecular quantum cellular automata (m-QCA) can disrupt computational behavior. Even minor geometric changes between cells impair the expected functionality of these molecular computing devices.

More Related Videos

Self-assembly of Complex Two-dimensional Shapes from Single-stranded DNA Tiles
10:23

Self-assembly of Complex Two-dimensional Shapes from Single-stranded DNA Tiles

Published on: May 8, 2015

10.9K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

7.5K

Related Experiment Videos

Last Updated: Apr 26, 2026

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
08:21

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids

Published on: April 13, 2022

2.5K
Self-assembly of Complex Two-dimensional Shapes from Single-stranded DNA Tiles
10:23

Self-assembly of Complex Two-dimensional Shapes from Single-stranded DNA Tiles

Published on: May 8, 2015

10.9K
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

7.5K

Area of Science:

  • Quantum computing
  • Molecular electronics
  • Computational physics

Background:

  • Molecular-based quantum cellular automata (m-QCA) extend quantum-dot QCAs for novel computation.
  • Information is encoded in molecular charge configurations and propagated via Coulombic interactions.
  • m-QCA functionality depends on quantum mechanical electron transfer and electrostatic interactions.

Purpose of the Study:

  • To investigate the impact of structural distortions on single m-QCA functionality.
  • To analyze how geometric changes affect cell interactions and computational behavior.

Main Methods:

  • A minimal model was employed using a diabatic-to-adiabatic transformation.
  • The study focused on classical square geometry variations between driver and target cells.

Main Results:

  • Small geometric changes, including distance variations and shape distortions, were analyzed.
  • These distortions lead to less symmetric cell responses.
  • The expected computational behavior of m-QCA can be modified or impaired.

Conclusions:

  • Structural integrity is crucial for reliable m-QCA operation.
  • Geometric deviations significantly influence the electrostatic interactions and computational output.
  • Further research should consider structural stability in m-QCA design.