Molecule Shapes - VSEPR | Lone Pairs - PhET Interactive Simulations
Explore molecule shapes by building molecules in 3D! How does molecule shape change with different numbers of bonds and electron pairs? Find out by adding single, double or triple bonds and lone pairs to the central atom. Then, compare the model to real molecules!
4. SMARTS - A Language for Describing Molecular Patterns
Substructure searching, the process of finding a particular pattern (subgraph) in a molecule (graph), is one of the most important tasks for computers in chemistry. It is used in virtually every application that employs a digital representation of a molecule, including depiction (to highlight a particular functional group), drug design ...
Molecule Patterns: New in Wolfram Language 12
The Wolfram Language allows searching for and highlighting arbitrarily defined substructures within a Molecule object. This example shows how patterns can be defined for atoms, bonds and arbitrary substructures.
MoleculePattern—Wolfram Language Documentation
MoleculePattern [ {atom1, atom2, ... }, { bond1, bond2, ... }] represents a molecule pattern with atoms atomi and bonds bondi for use in substructure searching. MoleculePattern ["smarts"] represents a molecule pattern from the input SMARTS pattern.
Molecular Geometry: Definition, Chart, Shapes, and Examples
A molecule consists of a central atom chemically bonded to several side atoms, resulting in a well-defined shape and a finite bond angle [1-4]. Molecular geometry is vital in chemistry to determine a substance’s physical and chemical properties, like color, reactivity, polarity, and state of matter.
Build a Molecule - PhET Interactive Simulations
An interactive simulation by PhET that allows users to build molecules and understand their structures.
10.7: Shapes of Molecules - Chemistry LibreTexts
2023年7月12日 · The molecule has three atoms in a plane in equatorial positions and two atoms above and below the plane in axial positions. The three equatorial positions are separated by 120° from one another, and the two axial positions are at 90° to the equatorial plane.
4.8: The Shapes of Molecules - Chemistry LibreTexts
Although the electron groups are oriented in the shape of a tetrahedron, the shape of the molecule is bent 109° or angular. A molecule with four electron groups about the central atom, but only one electron group bonded to another atom, is …
Comparing Molecular Patterns Using the Example of SMARTS: …
2019年5月23日 · Molecular patterns are widely used for compound filtering in molecular design endeavors. They describe structural properties that are connected with unwanted physical or chemical properties like reactivity or toxicity. With filter sets comprising hundreds of structural filters, an analytic approach to compare those patterns is needed.
Molecule Shapes - PhET Interactive Simulations
Explore the interactive simulation to understand how molecule shapes are determined by electron pairs and bond types.