Search results
Results from the WOW.Com Content Network
As a word bond graph, this system would look like: A half-arrow is used to provide a sign convention, so if the engine is doing work when τ and ω are positive, then the diagram would be drawn: This system can also be represented in a more general method. This involves changing from using the words, to symbols representing the same items.
A chemical graph is a labeled graph whose vertices correspond to the atoms of the compound and edges correspond to chemical bonds. Its vertices are labeled with the kinds of the corresponding atoms and edges are labeled with the types of bonds. [1] For particular purposes any of the labelings may be ignored. A hydrogen-depleted molecular graph ...
In graph theory, the degree of a vertex is its number of connections. In a chemical graph, the maximum degree of an atom is its valence, and the maximum number of bonds a chemical element can make. For example, carbon's valence is 4. In a chemical graph, an atom is saturated if it reaches its valence. A graph is connected if there is at least ...
Skeletal structural formula of Vitamin B 12. Many organic molecules are too complicated to be specified by a molecular formula. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are connected to one another. [1]
Each bond consists of a pair of electrons, so if t is the total number of electrons to be placed and n is the number of single bonds just drawn, t−2n electrons remain to be placed. These are temporarily drawn as dots, one per electron, to a maximum of eight per atom (two in the case of hydrogen), minus two for each bond.
Molecular geometries can be specified in terms of 'bond lengths', 'bond angles' and 'torsional angles'. The bond length is defined to be the average distance between the nuclei of two atoms bonded together in any given molecule. A bond angle is the angle formed between three atoms across at least two bonds.
The smallest molecule, hydrogen gas exists as dihydrogen (H-H) with a single covalent bond between two hydrogen atoms. As each hydrogen atom has a single 1s atomic orbital for its electron, the bond forms by overlap of these two atomic orbitals. In the figure the two atomic orbitals are depicted on the left and on the right.
[2] An example is the complexation of two molecules. The distance between both of them is the collective variable, where the atomic positions are the individual variables x i and the reaction coordinate ξ would be the full path of association and dissociation. By applying a bias to the collective variables the simulation can be 'steered ...