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

Covalent Bonding and Lewis Structures02:46

Covalent Bonding and Lewis Structures

61.3K
Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.
61.3K
Structure and Bonding of Alkenes02:47

Structure and Bonding of Alkenes

20.5K
Olefins, which are unsaturated hydrocarbons containing one or more carbon–carbon double bonds, are broadly divided into alkenes and cycloalkenes. The general chemical formula of an alkene is CnH2n.
Doubly bonded carbons are sp2 hybridized and have a trigonal planar geometry. The double bond is composed of a σ bond formed by the overlap of hybrid orbitals and a π bond produced by the lateral overlap of unhybridized 2p orbitals on both the carbons. Each carbon atom is...
20.5K
Peptide Bonds02:43

Peptide Bonds

83.0K
A peptide bond covalently attaches amino acids through a dehydration reaction. One amino acid's carboxyl group and another amino acid's amino group combine, releasing a water molecule. The resulting bond is the peptide bond. The products that such linkages form are peptides. As more amino acids join this growing chain, the resulting chain is a polypeptide. Each polypeptide has a free amino group at one end. This end has the N-terminal, or the amino-terminal, and the other end has a free...
83.0K
Bond Energies and Bond Lengths02:49

Bond Energies and Bond Lengths

31.5K
Stable molecules exist because covalent bonds hold the atoms together. The strength of a covalent bond is measured by the energy required to break it, that is, the energy necessary to separate the bonded atoms. Separating any pair of bonded atoms requires energy — the stronger a bond, the greater the energy required to break it.
31.5K
Approximate Integration01:24

Approximate Integration

51
In many practical and theoretical contexts, the exact value of a definite integral may be inaccessible. This limitation typically arises when the antiderivative of a function is either unknown or cannot be expressed in a closed mathematical form. Alternatively, it can occur when a function is defined not by a formula but by a finite set of empirical data points, such as those collected during experiments. In these cases, approximate integration techniques provide a valuable solution.One of the...
51
Bonding in Metals02:32

Bonding in Metals

52.4K
Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
52.4K

You might also read

Related Articles

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

Sort by
Same author

Data on generation of Kekulé structures for graphenes, graphynes, nanotubes and fullerenes and their aza-analogs.

Data in brief·2018
Same author

Minimizing light reflection from dielectric textured surfaces.

Journal of the Optical Society of America. A, Optics, image science, and vision·2011
Same author

Antireflective properties of pyramidally textured surfaces.

Optics letters·2010
Same author

The centroidal algorithm in molecular similarity and diversity calculations on confidential datasets.

Journal of computer-aided molecular design·2005

Related Experiment Video

Updated: Feb 3, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

10.1K

A fast approximate algorithm for determining bond orders in large polycyclic structures.

Sergey Trepalin1, Sasha Gurke2, Mikhail Akhukov3

  • 1Institute of Physiologically Active Compounds, Russian Academy of Sciences, Chernogolovka, Moscow Region, 142432, Russia.

Journal of Molecular Graphics & Modelling
|October 19, 2018
PubMed
Summary
This summary is machine-generated.

A new logarithmic time algorithm efficiently determines chemical bond orders in complex polycyclic molecules. This computational chemistry tool works rapidly on large structures, including graphene and nanotubes, with high accuracy.

Keywords:
Fast algorithmFullereneGrapheneGraphyneKekulé structureNanotube

More Related Videos

Crystallizing Membrane Proteins for Structure Determination using Lipidic Mesophases
22:00

Crystallizing Membrane Proteins for Structure Determination using Lipidic Mesophases

Published on: November 21, 2010

30.6K
Structural Information from Single-molecule FRET Experiments Using the Fast Nano-positioning System
12:30

Structural Information from Single-molecule FRET Experiments Using the Fast Nano-positioning System

Published on: February 9, 2017

12.6K

Related Experiment Videos

Last Updated: Feb 3, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
14:44

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR

Published on: December 16, 2013

10.1K
Crystallizing Membrane Proteins for Structure Determination using Lipidic Mesophases
22:00

Crystallizing Membrane Proteins for Structure Determination using Lipidic Mesophases

Published on: November 21, 2010

30.6K
Structural Information from Single-molecule FRET Experiments Using the Fast Nano-positioning System
12:30

Structural Information from Single-molecule FRET Experiments Using the Fast Nano-positioning System

Published on: February 9, 2017

12.6K

Area of Science:

  • Computational Chemistry
  • Materials Science
  • Chemical Graph Theory

Background:

  • Determining chemical bond orders is crucial for understanding molecular structure and properties.
  • Existing methods can be computationally intensive for large and complex molecular systems.

Purpose of the Study:

  • To develop a novel, efficient algorithm for determining chemical bond orders.
  • To apply the algorithm to a wide range of polycyclic carbon-based materials.

Main Methods:

  • A logarithmic time complexity algorithm (N·log(N)) was developed.
  • The algorithm handles polycyclic compounds with various cycle sizes and atom valencies (≤4).
  • It accommodates triple and cumulene bonds within cyclic structures.

Main Results:

  • The algorithm was successfully tested on graphene, nanotubes, graphynes, fullerenes, and their analogs.
  • Bond order determination for structures with over 10^7 atoms took under 2 minutes on a personal computer.
  • For compounds with odd-atom aromatic cycles, the algorithm is probabilistic but shows significant success in generating Kekulé structures.

Conclusions:

  • The proposed algorithm offers a highly efficient method for calculating chemical bond orders in complex molecular systems.
  • It demonstrates practical applicability to large-scale materials like graphene and nanotubes.
  • The probabilistic nature for odd-atom cycles does not negate its significant utility and success rate.